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MOLECULES · 2020 ·Vol. 25 ·期 20 ·4789 · IF 3.267

Chemical Space Charting of Different Parts of Inula nervosa Wall.: Upregulation of Expression of Nrf2 and Correlated Antioxidants Enzymes

Xiang-rong Cheng,Wei Zhao,Wen-le Dong,Guo-wei Le

The edible and medicinal part ofInula nervosaWall. (Xiaoheiyao) is confined to its root without sufficient phytochemical and biological investigation. In this study, the secondary metabolites of root, stem, leaf, and flower ofI. nervosaWall. were visualized using Global Natural Products Social Molecular Networking (GNPS), MolNetEnhancer, XCMS(xcmsonline.scripps.edu) analysis, and `ili mapping based on high performance liquid chromatography-tandem mass spectrometry (HPLC-MS/MS) data to reveal their chemical differences. Among the 11 kinds of chemical repertoires annotated by MolNetEnhancer and 16 hits against the GNPS library, 10-isobutyryloxy-8,9-epoxythymol isobutyrate (1) was revealed as the most dominant and responsible marker between the roots and the other parts. Moreover, a battery of unique MS features as well as differential markers were discovered from different parts of the plant. The chemical differences contribute to the bioactivity differences, which presented in the 2,2-diphenyl-1-picryl-hydrazyl (DPPH)assay and H2O2-insulted HepG2 cells and were in significant correlations with the contents of1. real-time reverse transcription polymerase chain reaction (RT-PCR)results demonstrated thatI. nervosaWall. extracts upregulated the mRNA expression of nuclear factor E2-related factor 2(Nrf2), heme oxygenase 1(HO-1), NAD(P)H quinone dehydrogenase 1 (NQO1), manganese superoxide dismutase (MnSOD), and glutamate-cysteine ligase catalytic subunit (GCLC) actors involved in antioxidative response in H2O2-challenged HepG2 cells. These findings support the roots ofI. nervosaWall. as active parts ofXiaoheiyao, and also indicate the potential antioxidant activities of other parts.Keywords:Xiaoheiyao;GNPS molecular networking;MolNetEnhancer;XCMS online;Nrf2

CAS / MDL: 1898-66-4 117-39-5
研究领域: 植物化学 · 药理学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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EUROPEAN POLYMER JOURNAL · 2019 · IF 3.621

Supramolecularly toughened and elastic epoxy resins by grafting 2-ureido-4[1H]-pyrimidone moieties on the side chain

Peng Zhang,Lei Kan,Xinyue Zhang,Rui Li,Chuanqi Qiu,Ning Ma,Hao Wei

Multiple hydrogen bonds have been widely used to form a supramolecular network and endow materials with enhanced mechanical strength, good elasticity, and/or self-healing properties. In this study, 2-ureido-4[1H]-pyrimidone (UPy) compounds were synthesized and chemically grafted onto the side chain of epoxy resins. The UPy-modified epoxy resin demonstrated substantial improvements in toughness and elasticity compared with unmodified epoxy resin as proven by a tensile test and distortion test. The breaking elongation of the UPy-modified epoxy resin was 5 times higher than that of unmodified epoxy resin under a tensile test. In addition, the fracture mechanism of the modified epoxy resin matched with the ductile fracture rather than the brittle fracture of unmodified epoxy resins. The introduction of quadruple hydrogen bonds by chemical modification may provide a simple and effective way to design and prepare highly flexible thermosetting resin materials.

CAS / MDL: 111-36-4 9046-10-0
研究领域: 材料科学 · 化学工程
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ACS Nano · 2024 · IF 15.8

Constructing Molecular Networks on Metal Surfaces through Tellurium-Based Chalcogen-Organic Interaction

Fengru Zheng,Qi Huang,Juan Xiang,Zhiwen Zhu,Jiayi Lu,Jinyang Xu,Zhaofeng Liang,Lei Xie,Fei Song,Qiang Sun

On-surface molecular self-assembly presents an important approach to the development of low-dimensional functional nanostructures and nanomaterials. Traditional strategies primarily exploit hydrogen bonding or metal coordination, yet the potential of chalcogen bonding (ChB) for on-surface self-assemblies remains underexplored. Here, we explore fabricating molecular networks via tellurium (Te)-directed chalcogen-organic interactions. Employing carbonitrile molecules as molecular building blocks, we have achieved extended 2D networks exhibiting a 4-fold binding motif on Au(111), marking a notable difference from the conventional coordinative interaction involving transition metals. Our findings, supported by density functional theory (DFT) and scanning tunneling spectroscopy (STS), show that the Te-carbonitrile interaction exhibits lower stability compared to the metal–organic coordination, and the construction of the Te-directed molecular networks does not alter the electronic properties of the involved molecules. Introducing chalcogen-directed interactions may expand the spectrum of strategies in supramolecular assembly, contributing to the design of advanced molecular architectures for nanotechnological applications.

CAS / MDL: 13494-80-9
研究领域: 材料科学 · 化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Materials Science & Engineering C-Materials for Biological Applications · 2021 · IF 7.328

Synergy coordination of cellulose-based dialdehyde and carboxyl with Fe3+ recoverable conductive self-healing hydrogel for sensor

Ying Wang,Hui Zhang,Haichuan Zhang,Junqing Chen,Bingyun Li,Shiyu Fu

A novel dual ionic network cellulose-based composite conductive self-healing hydrogel was fabricated with high elongation, rapid recoverability, high conductive sensitivity, self-healing ability and good biocompatibility. The hydrogel was constructed by the synergistic complexations of new-fashioned bidentate aldehyde groups on dialdehyde cellulose nanofibers (DACNFs) and carboxyl groups of acrylic acid (AA) with Fe 3+ . The elongation (~1300%) of the hydrogel containing 1 wt% DACNFs was approximate 13-fold of the pure PAA hydrogel and can recover to original state within 2 min after 80% compression. The self-healing efficiency increased with the addition of DACNFs in the dual ionic network cellulose-based composite conductive self-healing hydrogel. The hydrogel configured for a wearable test and showed high stretching sensitivity with a gauge factor of 13.82 at strain within 1.6%. The gauge factor (GF) decrease with the incremental strain within 20%. GF were 0.696 between 20% and 300% strain, 0.837 within 300% and 500%. Meanwhile, the current had a good linear relationship with the bending angles of hydrogels and pressure on hydrogels, which may provide a great potential in monitor both minor variations and large movements.

研究领域: 材料科学 · 生物医学工程
✓ 已验证 产品关联 DOI PubMed 高影响因子
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Royal Society Open Science · 2018 ·Vol. 5 ·期 6 · IF 2.504

Fast formation of a supramolecular ion gel/solvoplastic elastomer with excellent stretchability

Shishun Bai,Xin Wang,Jaana Vapaavuori,Xianru He

This study describes a simple yet efficient approach for the preparation of an ionic gel that is also elastomeric in its solid-state bulk form. A series of poly(2-(diethylamino)ethyl methacrylate-co-lauryl methacrylate) P(DMAEMA-co-LMA) copolymers were synthesized first by radical polymerization. Quaternization of the PDMAEMA component in tetrahydrofuran enables the formation of supramolecular network, giving rise to an ion gel. An elastomer with an elongation at break of over 600% was obtained from the gel. The elastomer, connected by supramolecular ionic cross-links, is solvoplastic in certain solvents. The simple yet efficient approach of the formation of ion-gel and the dried elastomer allows fast preparation of both gel-like and solid-state elastic materials for various applications where recyclability is required.

研究领域: 材料科学 · 高分子化学
✓ 已验证 DOI PubMed 高影响因子
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CHEMICAL ENGINEERING JOURNAL · 2019 · IF 8.355

Silicone dielectric elastomer with improved actuated strain at low electric field and high self-healing efficiency by constructing supramolecular network

Haibin Sun,Xueying Liu,Suting Liu,Bing Yu,Nanying Ning,Ming Tian,Liqun Zhang

Dielectric elastomers (DE) suffer from cracks and breaks during repeated cycles, thus a DE material with both high actuated strain (S A ) and self-healing ability is highly desired. Herein, for the first time we report a self-healable silicone DE (SiR-SN) with large S A under low electric field by constructing supramolecular network assembled by hydrogen bonds and ionic bonds from two components involving carboxyl modified polymethylvinylsiloxane (PMS-g-COOH) and amino terminated polydimethylsiloxane (PDMS-NH 2 ). The results show that as PMS-g-COOH content increases, the dielectric constant ( ε′ ) of SiR-SN increases owing to an increase in dipole content whereas the elastic modulus (Y) decreases because of a decrease in crosslinking density, leading to the significantly increased S A at a given electric field. SiR-SN with 0.2/1 of the mass ratio of PMS-g-COOH to PDMS-NH 2 shows much higher ε′ and S A than the commercial silicone DE. Interestingly, self-healing of SiR-SN at 80 °C leads to the re-formation of hydrogen bonds, and thus the recovery of network structure, whereas self-healing at 100 °C can lead to the conversion from hydrogen bonds into ionic ones, and thus the change of network structure. As a result, a self-healing efficiency of 115% in tensile strength and almost 100% in S A at a given electric field can be achieved after self-healing at 80 °C for 5 h, whereas an increase in Y and higher breakdown strength can be achieved after self-healing at 100 °C, which may sustain the repeated stress and prolong the service life. It is promising that this new self-healable silicone dielectric elastomer with large actuated strain under low electric field could be used especially in biological and medical fields.

CAS / MDL: 24650-42-8 107-06-2
研究领域: 材料科学 · 生物医学工程
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SHOCK · 2023 · IF 3.1

Geniposide improves CLP-induced sepsis model prognosis by upregulating PPARγ to modulate monocyte phenotype and cytokine network

Zhang Dewen,He Jian,Ding Xian,Wang Rui,Chen Wei

Background We explored the efficacy and main biological mechanism of geniposide intervention in sepsis. Methods A sepsis model was established in male BALB/c mice through cecal ligation and puncture (CLP). Different doses of geniposide (20 or 40 mg/kg) were administered intravenously at 0 and/or 24 h after CLP surgery. The survival rate of different groups was observed. Additionally, the expression levels of CD16 and MHC-II in monocytes were assessed using flow cytometry. The concentration of TNF-α, IL-1β, IL-6, and IL-10 in the serum were measured by ELISA. We also observed the biological effects of geniposide on CD16 and MHC-II expression levels in RAW264.7 cells, as well as the secretion of TNF-α, IL-1β, IL-6, and IL-10, in the LPS-induced RAW264.7 cell model. The PPARγ levels were determined using western blot analysis. Results Intravenous administration of 40 mg/kg of geniposide at 0 h after CLP significantly improved the survival outcomes in the septic mouse model, with no significant benefits from low dosing (20 mg/kg) or delayed administration (24 h). The effective dose of geniposide significantly decreased the serum cytokine TNF-α, IL-1β, IL-6, and IL-10 concentrations in septic mice ( P < 0.05). Notably, in vitro assays showed that geniposide specifically increased the IL-10 level. Geniposide significantly reduced the CD16 expression ( P < 0.05) and increased MHC-II expression in monocytes ( P < 0.05). Additionally, geniposide elevated the PPARγ level in monocytes ( P < 0.05). Conclusions High-dose early-stage geniposide administration significantly improved the survival rate in a CLP mouse sepsis model by modulating the monocyte phenotype and regulating the cytokine network (IL-6/IL-10 levels). The pharmacological mechanism of geniposide action might be exerted primarily through PPARγ upregulation.

研究领域: 免疫学 · 药理学 · 分子生物学
✓ 已验证 DOI PubMed 高影响因子
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Advanced Healthcare Materials · 2018 ·Vol. 8 ·期 2 ·1801458 · IF 5.609

Magnetic Regulation of Thermo-Chemotherapy from a Cucurbit[7]uril-Crosslinked Hybrid Hydrogel

Haishi Qiao,Jing Jia,Wei Chen,Bin Di,Oren A. Scherman,Chi Hu

The fabrication, characterization, and therapy efficiency of a noncovalent-bonded hydrogel network, which is assembled by utilizing cucurbit[7]uril as a supramolecular linker to “stick” superparamagnetic γ-Fe 2 O 3 nanoparticles onto the polymer backbone of catechol-functionalized chitosan are described. The unique barrel-shaped structure of cucurbit[7]uril not only facilitates host–guest recognition with the catechol derivatives, but also forms robust electrostatic interactions between its carbonyl portals and the γ-Fe 2 O 3 nanoparticles in a supramolecular manner, which leaves the physical and chemical properties of the nanoparticles intact. The γ-Fe 2 O 3 nanoparticles display vibrational movement and heat generation under an alternating magnetic field, endowing the formed hybrid supramolecular hydrogel with both thermo- and chemotherapy modalities, which are demonstrated both in vitro and in vivo. Here, a facile strategy is introduced to construct noncovalent interactions between a polymer matrix and the incorporated nanoparticles, which is amendable to a wide range of biomedical and industrial applications.

研究领域: 生物材料 · 纳米医学 · 肿瘤治疗
✓ 已验证 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2025 · IF 9.8

A comprehensive untargeted characterisation strategy for discriminating the geographical origins of Astragali Radix, integrating mass spectrometry data, molecular networking, and collision cross section measurements with chemometric analysis

Linyan Wang,Meihong Ding,Qingzhong Lai,Haofang Wan,Yang Guan,Changyu Li

Astragali Radix is renowned for its dual use in medicine and food. This study presented a comprehensive approach that combines ultra-high performance liquid chromatography/ion mobility-quadrupole time-of-flight mass spectrometry, in-house library matching, fragment ion identification, molecular networking and collision cross section prediction to assess Astragali Radix quality. Based on this approach, 130 compounds were successfully characterised, categorised into 38 saponins, 68 flavonoids, 10 amino acids, 5 organic acids, and others. Additionally, 8 pairs of isomers were verified based on collision cross section measurements. Furthermore, Astragali Radix produced in the Gansu, Shanxi and Jilin provinces could be successfully discriminated using PLS-DA and OPLS-DA models. Twenty differential metabolites were identified including 8 flavonoids and 12 saponins such as astragaloside II, neoastragaloside I, astragaloside VII, astragaloside VI, soyasaponin I, calycosin-7- O - glucoside, formononetin-7- O -glucoside-6”- O -acetate, and ononin, which could be used as potential markers.

CAS / MDL: 64-18-6
研究领域: 中药学 · 分析化学 · 植物化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CONTROL · 2022 · IF 6.652

Structural annotation and discovery of toxic cyclopeptides and their analogues in lethal mushroom Amanita and Lepiota species using UPLC-HRMS and molecular networking strategy

Zhiyong Zhao,Hengchao E,Enjing Tian,Tingting Fan,Xianli Yang,Xiaobei Li,Yanmei Zhang,Xujiao Li,Ailiang Chen,Changyan Zhou,Xiaoyan Zhao

Foodborne poisoning caused by the cyclopeptide toxins-producing mushroom species seriously endangers human life health. In recent years discovery of new cyclopeptides is getting more attention not only for their toxicity but also for their specific bioactivity. In this study, a combined strategy using liquid chromatography tandem high resolution mass spectrometry and the feature-based molecular networking analysis was established to identify the known cyclopeptide toxins and discover new cyclopeptides in the cyclopeptide toxins-producing mushroom species. The specific fragmentation behaviors of the known cyclopeptide toxins were systematically annotated. Four new phallotoxin analogues were identified for the first time, the chemical structures of which were completely deduced. Moreover, the chemical profiles of the toxic cyclopeptides in lethal mushroom Amanita and Lepiota species were investigated by the self-built cyclopeptides database. The developed strategy could be utilized as a useful tool for identifying the cyclopeptide toxins-induced food poisoning , as well as aid in the discovery of more unknown cyclopeptides.

CAS / MDL: 540-69-2 7647-01-0
研究领域: 食品科学 · 毒理学 · 分析化学
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ACS Applied Materials & Interfaces · 2023 · IF 9.5

Degradable Supramolecular Eutectogel-Based Ionic Skin with Antibacterial, Adhesive, and Self-Healable Capabilities

Yingxue Wu,Liu Yang,Jiadong Wang,Sirui Li,Xianhong Zhang,Dong Chen,Yuhong Ma,Wantai Yang

The development of degradable, cost-effective, and eco-friendly ionic conductive gels is highly required to reduce electronic waste originating from flexible electronic devices. However, biocompatible, degradable, tough, and durable conductive gels are challenging to achieve. Herein, we develop a facile strategy for the design and synthesis of degradable tough eutectogels by integrating an electrostatically driven supramolecular network composed of branched polyacrylic acid (PAA) and monoethanolamine (MEA) into a green deep eutectic solvent with chitosan quaternary ammonium salt (CQS). The specially designed PAA/MEA/CQS eutectogels present multiple desired properties, including high transparency, widely adjustable mechanical properties, high resilience, reliable adhesiveness, excellent self-healing ability, good conductivity, remarkable anti-freezing performance, and antibacterial properties. The dynamic and reversible supramolecular interactions not only significantly enhance the mechanical properties of the PAA/MEA/CQS eutectogels but also enable fast degradation, addressing the dilemma between mechanical strength and degradability. More importantly, a biocompatible and degradable multifunctional ionic skin is successfully fabricated based on the PAA/MEA/CQS eutectogel, exhibiting high sensitivity, a wide sensing range, and a rapid response speed toward strain, pressure, and temperature. Thus, this study offers a promising strategy for fabricating degradable tough eutectogels, which show great potential as high-performance ionic skins for next-generation flexible wearable electronic devices.

研究领域: 材料科学 · 生物医学工程 · 柔性电子
✓ 已验证 产品关联 DOI PubMed 高影响因子
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FOOD CHEMISTRY · 2024 · IF 8.5

Molecular networking and Paterno-Büchi reaction guided glycerides characterization and antioxidant activity assessment of Ganoderma lucidum spore oil

Qing-Xuan Ren,Rui Wang,Qin-Ru Mu,Ling Chen,Min Chen,Li-Jiang Wang,Ping Li,Hua Yang,Wen Gao

Ganoderma lucidum spore oil (GLSO) is a dietary supplement, with glycerides (GLs) recognized as its important active component. However, comprehensive profiling and accurate structural characterization of GLs in GLSO remain underexplored. In this study, 59 GLs from GLSO were identified by ultra-performance liquid chromatography-quadrupole time-of-flight mass spectrometry (UPLC-Q-TOF MS) and molecular networking (MN). The double bond isomers of these compounds were further resolved by the Paterno-Büchi (PB) reaction coupled with UPLC-Q-TOF MS, resulting in the identification of 36 unsaturated GLs, including 5 pairs of positional isomers. In summary, 64 GLs were characterized, consisting of 9 diacylglycerols (DGs) and 55 triacylglycerols (TGs). Additionally, the compositional variations, antioxidant activities, and relative isomer ratios of C C positional isomers of GLSO from eight different manufacturers were revealed, with 11 GLs correlating with antioxidant activity. This study enhances the understanding of the nutritional value of GLSO and lays a foundation for future quality standard formulation.

CAS / MDL: 100-52-7
研究领域: 食品科学 · 分析化学 · 生物化学
✓ 已验证 产品关联 DOI PubMed 高影响因子
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