TETRAHEDRON
·
2017
·
IF 2.651
Ling-Ling Wu,Gao H. Yang,Zhi Guan,Yan-Hong He
The Rose Bengal sensitized intermolecular [2 + 2]-cycloaddition of 3-ylideneoxindoles for the synthesis of spirocyclic oxindoles was developed successfully under visible light irradiation conditions. The cycloaddition products were obtained in good yields (up to 93%) with excellent diastereoselectivity and regioselectivity by using a low loading of Rose Bengal (0.125 mol%) as a triplet sensitizer. This work demonstrates the potential benefits of Rose Bengal in visible light catalysis.
研究领域:
有机化学
·
光化学
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产品关联
DOI
高影响因子
JOURNAL OF APPLIED POLYMER SCIENCE
·
2020
·Vol. 138
·期 9
·49925
·
IF 2.52
Lei Ding,Yi Fan Chen,Zhengxiang Zhong,Fei Lu,Yunzhe Du,Li Liu,Yudong Huang
Polymers with high flexibility and high content renewable biomass materials have attracted particular attention. Plant-derived trans-cinnamic acid (CA) was introduced into the structure of epoxidized soybean oil to form trans-cinnamated epoxidized soybean oil (ESOCA). ESOCA with multi-cinnamate groups was cured via [2 + 2] cycloaddition photo-polymerization that with no need of photoinitiator, while acrylated epoxidized soybean oil (ESOAA) was photocured via free radical photopolymerization for comparison. The successful synthesis of ESOCA and ESOAA resin was proved by Fourier transform infrared, proton nuclear magnetic resonance, and gel permeation chromatography results. ESOCA is more environmentally friendly than ESOAA for that trans-CA volatility is much lower than acrylic acid during synthesis process. Notably, UV-cured ESOCA samples had a higher tensile strength at break and a 14.75 times elongation at break of that of UV-cured ESOAA samples, showing that [2 + 2] cycloaddition photo-polymerization is a good strategy to prepare flexible materials. Performances of ESOCA as coating on flexible PET film were also better than those of ESOAA, especially the flexibility, adhesion, and UV shielding performance. This study may open up a new way for design and synthesize flexible high performance polymer from renewable biomass materials.
研究领域:
材料科学
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化学工程
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DOI
高影响因子
MOLECULES
·
2023
·Vol. 28
·期 4
·1930
·
IF 4.6
Yanqi Ban,Hui Wang,Zixuan Xiao,Lishui Sun,Qingyan Pan,Yingjie Zhao
A carbon–carbon-linked, ultrathin, two-dimensional (2D) polymer film was prepared at the air/water interface through photochemically triggered [2 + 2] cycloaddition. The preorganization of the monomers on the water surface and the subsequent photo-polymerization led to the successful preparation of the ultrathin 2D polymer film. The obtained film is continuous, free standing, and has a large area (over 50 μm2). Transmission electron microscopy (TEM) and atomic force microscopy (AFM) give clear evidence of the ultrathin film morphology. Raman spectroscopy and X-ray photoelectron spectroscopy (XPS) indicate successful photo-induced [2 + 2] polymerization.Keywords:two-dimensional polymers;covalent organic frameworks;porous materials;interfacial synthesis;[2 + 2] cycloaddition;photochemistry
研究领域:
材料科学
·
化学
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产品关联
DOI
PubMed
高影响因子
FITOTERAPIA
·
2024
·
IF 2.5
Yuan Wei,Wen-Hua Dong,Wei Li,Jun Zeng,Hui-Qin Chen,Sheng-Zhuo Huang,Li Yang,Wen-Li Mei,Ya-Li Wang,Zhi-Yong Guo,Hao-Fu Dai,Hao Wang
Six new dimeric 2-(2-phenylethyl)chromones ( 1 – 6 ) were successfully isolated from the ethanol extract of agarwood of Aquilaria filaria from Philippines under HPLC-MS guidance. Compounds 1 – 6 are all dimers formed by linking 5,6,7,8-tetrahydro-2-(2-phenylethyl)chromone and flindersia 2-(2-phenylethyl)chromone via a single ether bond, and the linkage site (C5-O-C8′′) of compound 2 is extremely rare. A variety of spectroscopic methods were used to ascertain their structures, including extensive 1D and 2D NMR spectroscopic analysis, HRESIMS, and comparison with literature. The in vitro tyrosinase inhibitory and anti-inflammatory activities of each isolate were assessed. Among these compounds, compound 2 had a tyrosinase inhibition effect with an IC 50 value of 27.71 ± 2.60 μM, and compound 4 exhibited moderate inhibition of nitric oxide production in lipopolysaccharide-stimulated RAW264.7 cells with an IC 50 value of 35.40 ± 1.04 μM.
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
MOLECULES
·
2016
·Vol. 21
·期 5
·555
·
IF 2.465
Zhongxiu Zhang,Xiaohui Wang,Wanqing Yang,Juan Wang,Cong Su,Xiao Liu,Jun Li,Yunfang Zhao,Shepo Shi,Pengfei Tu
Five 2-(2-phenylethyl)chromones including a new one, (5S,6R,7S,8R)-5,8-dichloro-6,7-dihydroxy-2-phenylethyl-5,6,7,8-tetrahydro-4H-chromen-4-one (1), and four known ones (2–5), were isolated from 150 mM NaCl-elicitedAquilaria sinensiscell suspension cultures. In addition, three feruloyl amides (6–8), six nucleosides (9–14), (+)-syringaresinol (15), indole-3-carboxaldehyde (16), and two glycosides (17–18) were also obtained. The structures were unambiguously identified by analysis of their UV, IR, NMR, and HRESIMS data. The absolute configuration of the new 2-(2-phenylethyl)chromone (1) was established by a dimolybdenum tetraacetate-induced circular dichroism experiment. Compared to un-elicited cell lines, the appearance of 2-(2-phenylethyl)chromones in NaCl-treated cells occurred on the 3rd and 5th days of their treatment. 2-(2-Phenylethyl)chromones, feruloyl amides, nucleosides, and lignins have been reported to be closely related to plant defense; therefore, the identification of these compounds from NaCl-elicitedA. sinensiscell suspension cultures would be useful for further exploring the mechanism of agarwood formation.Keywords:2-(2-phenylethyl)chromone;induced circular dichroism;Aquilaria sinensis;agarwood;cell suspension cultures;sodium chloride elicitation
研究领域:
植物学
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天然产物化学
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药用植物研究
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产品关联
DOI
PubMed
高影响因子
ELECTROCHIMICA ACTA
·
2021
·
IF 6.901
Xinxiang Chen,Huiqun Liu,Mingzhe Zhou,Guozhao Fang,Haimin Zhang,Zhenyang Cai,Xiaojun Zhao,Lairong Xiao,Sainan Liu,Yi Zhang
ABSTRACT Sodium-ion batteries (SIBs) are one of the most potential candidates for large-scale energy storage due to the low cost and eco-friendliness, however, a stable and reversible anode is urgently developed. In this work, a novel 2 × 2 tunnel-structured K 1.28 Ti 8 O 16 @N-doped carbon nanofibers (KTO@N CNFs) anode is successfully synthesized via simple electrospinning and subsequent thermal treatment with urea acted as the additional convenient nitrogen source. In-situ X-ray diffraction (XRD) measurement confirms the intercalation reaction mechanism and robust structure during Na + insertion/extraction. This composite material exhibits a reversible capacity of 116.4 mAh g − 1 at a current density of 100 mA g − 1 after 1000 cycles. More impressively, even at a high current density of 1 A g − 1 , the battery delivers capacity retention of 98.4 mAh g − 1 after 5000 cycles. The excellent electrochemical performance is attributed to the adequate 2 × 2 tunnel structure and the nano-confinement of N-doped nanofibers on K 1.28 Ti 8 O 16 nanocrystals, which offers enough diffusion paths and enhance the ionic diffusion of sodium ions. This work provides a facile strategy to synthesis stable, reversible, and long-cycle anode for sodium-ion batteries.
研究领域:
材料科学
·
电化学
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DOI
高影响因子
International Journal of Electrochemical Science
·
2023
·
IF 1.5
Shenying Xu,Wenpo Li,Xiuli Zuo,Dongdong Zheng,Xingwen Zheng,Shengtao Zhang
The inhibition effect of 2-(2-Hydroxyphenyl)benzothiazole (HBT), a newly synthesized benzothiazole derivative, on mild steel in 1 M HCl medium has been investigated by utilizing weight loss measurements, electrochemical methods and morphology characterization. The results indicate that HBT exhibited a superior corrosion inhibition efficiency, which reached approximately 95% with the addition of 0.07 mM HBT. Electrochemical tests illustrate that HBT is a mixed-type inhibitor. According to the Langmuir adsorption isotherm, the thermodynamic and kinetic parameters of the adsorption process complied with a physical-adsorption mechanism. Furthermore, computational calculations based on density functional theory reveal the relation between the electronic properties and the inhibition efficiency. In combination with the value of pKa , the protonic form of HBT in corrosive medium was predicted.
研究领域:
材料科学
·
电化学
·
计算化学
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产品关联
DOI
高影响因子
CHEMISTRY-A EUROPEAN JOURNAL
·
2025
·
IF 3.7
Jinbo Ouyang,Longping Jiang,Jiayao Li,Feiqiang He,Zhi Gao,Mengmeng Wang,Limin Zhou,Zongbo Xie,Zhiqiang Zhu,Yifu Chen
Graphical Three isomeric fluorinated acylhydrazone derivatives (DFBP-IND, DFBP-BHD, DFBP-3-FBHD) were successfully synthesized and demonstrated dynamic photo-responsive behavior ranging from crack initiation to crystal fragmentation under 365 nm UV irradiation. The photochemical mechanism was explored in detail and highlighted the essential role of the C═N bond in the acylhydrazone framework for enabling [2+2] cycloaddition-driven actuation. Our structural engineering strategy established a design paradigm for photoresponsive materials through rational selection of hydrazide precursors, enabling precise modulation of optomechanical properties. Crystalline materials with photomechanical responsiveness have garnered significant attention in flexible actuators and micro/nano-electromechanical systems due to their unique capability to directly convert light into mechanical energy. In this work, four novel fluorinated acylhydrazone compounds were successfully synthesized through direct condensation reactions between 4,4′-difluorobenzophenone (DFBP) and acylhydrazine compounds, including benzoylhydrazine (BHD), 3-fluorobenzoylhydrazine (3-FBHD), isoniazid (IND), and acetylhydrazine (AED). Systematic investigation of their photomechanical responses revealed distinct molecular mechanisms. Experimental results demonstrate that isomeric fluorinated acylhydrazone derivatives (DFBP-BHD, DFBP-3-FBHD, DFBP-IND) exhibit dynamic photo-responsive behavior ranging from crack initiation to crystal fragmentation under 365 nm UV irradiation, whereas the hydrazone derivative DFBP-AED remains inert. This confirms the essential role of [2 + 2] photocycloaddition-dependent C = N double bonds in photomechanical activity. Comprehensive characterization through DSC, TG, XRD, ¹H/¹ 3 C NMR, and MS elucidated the formation pathways and structural characteristics of photocycloaddition products. Density functional theory calculations revealed that energy disparities between (0 0 1) and (1 0 0) crystallographic planes govern longitudinal fragmentation patterns. This study establishes a “molecular structure-crystal arrangement-macroscopic response” multi-scale regulation strategy, offering novel insights for developing high-performance light-driven materials.
研究领域:
材料科学
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光化学
·
晶体工程
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机械工程
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理论化学
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产品关联
DOI
PubMed
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2025
·
IF 4.7
Yu Zhu,Ying Wang,Huimin Zhao,Jinli Wei,Haoyuan Chen,Maroosha Javed,Linghua Zhuang,Guowei Wang
In this study, Schiff base derivatives 5a-5f containing 2-(2-hydrazinyl) thiazole moiety were synthesized and confirmed with spectral analysis ( 1 H NMR, 13 C NMR, IR, MS). The antioxidant activity was evaluated using DPPH free radical scavenging assay. Compound 5c (IC 50 = 21.71 ± 2.64), 5d (IC 50 = 22.59 ± 4.26) demonstrated good antioxidant activity. Density functional theory (DFT) calculations were performed to analyze the optimized geometric structures, including natural bond orbital (NBO) analysis, frontier molecular orbital (FMO) analysis, and molecular electrostatic potential (MEP) analysis. The most credible transition observed in compound 5a was π (C21-C22) → π*(C23-C24), with highest stabilization energy of 22.67 kcal/mol. Compounds 5a-5f exhibited strong interactions and favorable binding energies. The binding affinity of Compounds 5a-5f ranged from -5.42 to -6.37 kcal/mol. The binding affinity of compound 5a was -6.31 kcal/mol. Molecular docking studies elucidated that compounds 5a-5f showed a certain binding ability to human antioxidant enzyme receptor 3MNG, supporting the experimental antioxidant activity results. Compound 5a demonstrated the most active antioxidant property. Two hydrogen bonds were found, as N13-H14…GLU27:O (GLU27, 2.15 Å), ASN24:H…S18 (ASN24, 2.33 Å). Compounds 5a-5f adhered to Lipinski's Rule of Five. Compounds 5a, 5b , and 5d demonstrated relative higher Drug-Likeness values. These results will shed light on design, preparation of new Schiff base antioxidants and provide important information for optimizing the chemical structures of antioxidants with higher anti-oxidative properties.
研究领域:
有机化学
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药物化学
·
计算化学
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产品关联
DOI
高影响因子
JOURNAL OF MOLECULAR STRUCTURE
·
2019
·
IF 2.12
Yu Yang,Jiang-Yu Bian,Yu-Han Li,Hui-Chao Guan,Yan-Ru Tang,Yan-Ling Chen,Shu-Mei Yue
Six complexes including [Cd (bpt)(odc) 2 ] (1), [Ni(bpt)(odc) 2 ] (2), [Zn (bpt)(odc) 2 ] (3), [Zn (bpt)(1,4-ndc) 2 (H 2 O)] (4), [Cd (bpt)(1,4-ndc) 2 ] (5), [Cd (bpt)(Pta) 2 (H 2 O) 2 ] (6), {bpt = 2-(2 pyridyl)benzothiazole, H 2 odc = 4,4′-oxybisbenzoic acid, 1,4-H 2 ndc = naphthalene-1,4-dicarboxylic acid, Pta = terephthalic acid}, have been determined by single-crystal X-ray diffraction analysis, which shows that complexes 1–3 belong to monoclinic system with space group P2 1 /n, complex 4 and complex 6 belong to triclinic system with space group P-1, complex 5 belongs to monoclinic system with space group P2 1 /c. TD-DFT calculations for the complexes 3 was performed to explain the structures and electronic spectral properties. UV spectroscopy , fluorescence spectroscopy and viscosity were used to characterize the interaction of the CT-DNA complexes. The results indicate that complexes 1–6 have strong interaction with CT-DNA binding. All complexes exhibit an electrostatic or groove mode of binding with DNA . Furthermore, they also present that all complexes have strong ability to interact with DNA. It can effectively destroy the DNA acting on cancer cells. Therefore, we hope to provide a theoretical and scientific basis for the development of anti-cancer drugs.
研究领域:
化学
·
生物化学
·
药学
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产品关联
DOI
高影响因子
CRYSTENGCOMM
·
2018
·Vol. 20
·期 8
·1151-1157
·
IF 3.304
Qiangwen Fan,Xiaowei Duan,Hong Yan
The solid state [2 + 2] photocycloaddition of N,N′-diacyl-1,4-dihydropyrazines has been investigated using thiourea as a template to preorient the reactants in the crystalline state in a manner that is beneficial for the [2 + 2] photocycloaddition. The structures of the photoadducts, syn-dimers and cage-dimers, were determined using NMR and single-crystal X-ray diffraction. According to the topochemical principles used to assess the feasibility of solid state photochemical [2 + 2] cycloaddition, topological analysis of cocrystals consisting of the N,N′-diacyl-1,4-dihydropyrazines and thiourea, as well as the syn-dimers, was performed to investigate the influence of packing modes and non-covalent interactions on their solid state photoreactivity. The results showed that the solid state [2 + 2] reactivities of both the N,N′-diacyl-1,4-dihydropyrazines assembled using thiourea and the syn-dimers were controlled by the topochemical orientation of the potentially reactive double bonds and the H-bonding interactions within the adjacent reactive molecules.
研究领域:
有机化学
·
光化学
·
晶体工程
·
超分子化学
·
药物合成
✓ 已验证
DOI
高影响因子
JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE
·
2023
·Vol. 103
·期 6
·2824-2837
·
IF 4.1
Yiting Wen,Yujia Zhang,Xiaoli Zhang,Linjun Wang,Qiuxia Pan,Qiuhan Bai,Du Zhu,Weiming Chai
BACKGROUND Tyrosinase is the key enzyme involved in enzymatic browning of plant-derived foods. Inhibition of tyrosinase activity contributes to the control of food browning. Due to safety regulations or other issues, most identified tyrosinase inhibitors are not suitable for practical use. Therefore, it is necessary to search for novel tyrosinase inhibitors. In this study, the anti-tyrosinase activity and mechanism of albendazole and 2-(2-aminophenyl)-1 H -benzimidazole (2-2-A-1HB) were investigated through ultraviolet–visible absorption spectroscopy, fluorescence spectra, molecular docking, and molecular dynamic (MD) simulation. The anti-browning effect of albendazole on fresh-cut apples was then elucidated. RESULTS Albendazole and 2-2-A-1HB were both efficient tyrosinase inhibitors with IC 50 of 51 ± 1.5 and 128 ± 1.3 μmol L −1 , respectively. Albendazole suppressed tyrosinase non-competitively and formed tyrosinase–albendazole complex statically. Hydrogen bond and hydrophobic interaction were major driving forces in stabilizing the tyrosinase–albendazole complex. While 2-2-A-1HB inhibited the enzyme competitively and quenched its intrinsic fluorescence through a static mechanism, it generated strong binding affinity with tyrosinase through hydrophobic interaction. MD simulations further validated that albendazole/2-2-A-1HB could form stable complexes with tyrosinase and loosened its basic framework structure, leading to a change in secondary structure and conformation. In addition, albendazole could delay the browning of fresh-cut apples by inhibiting the activity of polyphenol oxidase, peroxidase and phenylalanine ammonia-lyase, and reducing the oxidation of phenolic compounds. CONCLUSION This research might provide a deep view of tyrosinase inhibition by benzimidazole derivatives and a theoretical basis for developing albendazole as a potential fresh-keeping agent. © 2023 Society of Chemical Industry.
研究领域:
食品科学
·
生物化学
·
分子生物学
✓ 已验证
产品关联
DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）