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JOURNAL OF INTERFERON AND CYTOKINE RESEARCH · 2019 ·Vol. 39 ·期 9 ·554-563 · IF 1.774

Potential Mechanisms of 3, 4-Oxo-Isopropylidene-Shikimic Acid in Ameliorating 2, 4, 6-Trinitrobenzenesulfonic Acid-Induced Colitis in Rats

Yan Yan,Pengchong Wang,Ying Sun,Yalin Dong,Jianfeng Xing

Previously, we reported that 3, 4-oxo-isopropylidene-shikimic acid (ISA) has therapeutic potential in experimental colitis in rats. This study aimed to elucidate the potential mechanisms of ISA on the inflammatory response in rats with 2, 4, 6-trinitrobenzenesulfonic acid-induced colitis. After the induction of colitis, rats were orally administered ISA for 12 days. Then, the expression levels of inflammatory cytokines, cell adhesion molecules, and matrix metalloproteinase (MMP) in the blood and colon tissues, and the protein level of nuclear factor kappa B (NF-κB) p65 in cytoplasm and nucleus of colon tissues were evaluated. As a result, an enhanced inflammatory response was observed in rats with experimental colitis. However, the treatment with ISA significantly ameliorated the inflammatory response, which was manifested as a significant decrease in the levels of tumor necrosis factor (TNF)-α, interleukin (IL)-1β, interferon (IFN)-γ, IL-8, TNF-α mRNA, P-selectin, E-selectin, intercellular cell adhesion molecule-1, MMP9 and MMP9 mRNA in rat blood and colon tissues, respectively, and a significant decrease in the levels of IFN-γ/IL-4, and the NF-κBp65 activity coefficient. Therefore, the therapeutic effect of ISA on experimental colitis may be related to its inhibitory effect on the expression of cytokines, adhesion molecules, and MMP9, which may be involved in the inhibition of the activation and nuclear translocation of NF-κBp65.

CAS / MDL: 129-15-7
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International Journal of Environmental Research and Public Health · 2017 ·Vol. 14 ·期 11 ·1414 · IF 2.101

Acute Toxicity and Ecological Risk Assessment of Benzophenone-3 (BP-3) and Benzophenone-4 (BP-4) in Ultraviolet (UV)-Filters

Yang Du,Wen-Qian Wang,Zhou-Tao Pei,Fahmi Ahmad,Rou-Rou Xu,Yi-Min Zhang,Li-Wei Sun

Ultraviolet (UV)-absorbing chemicals (UV filters) are used in personal care products for the protection of human skin and hair from damage by UV radiation. Although these substances are released into the environment in the production and consumption processes, little is known about their ecotoxicology effects. The acute toxicity and potential ecological risk of UV filters benzophenone-3 (BP-3) and benzophenone-4 (BP-4) onChlorella vulgaris,Daphnia magna, andBrachydanio reriowere analyzed in the present study. The EC50values (96 h) of BP-3 and BP-4 onC. vulgariswere 2.98 and 201.00 mg/L, respectively. The 48 h-LC50of BP-3 and BP-4 onD. magnawere 1.09 and 47.47 mg/L, respectively. The 96 h-LC50of BP-3 and BP-4 onB. reriowere 3.89 and 633.00 mg/L, respectively. The toxicity of a mixture of BP-3 and BP-4 onC. vulgaris,D. magna, andB. rerioall showed antagonistic effects. The induced predicted no-effect concentrations of BP-3 and BP-4 by the assessment factor method were 1.80 × 10−3and 0.47 mg/L, respectively, by assessment factor (AF) method, which were both lower than the concentrations detected in the environment at present, verifying that BP-3 and BP-4 remain low-risk chemicals to the aquatic ecosystem.Keywords:benzophenone-3;benzophenone-4;UV filters;acute toxicity;ecological risk assessment

CAS / MDL: 4065-45-6 127827-52-5
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NEW JOURNAL OF CHEMISTRY · 2015 ·Vol. 39 ·期 8 ·6474-6481 · IF 3.086

Catalysis of the hydro-dechlorination of 4-chlorophenol and the reduction of 4-nitrophenol by Pd/Fe3O4@SiO2@m-SiO2

Yansheng Liu,Wei Zhang,Xinlin Li,Xuanduong Le,Jiantai Ma

In this study, Pd nanoparticles functionalized on the surface of a Fe3O4@SiO2@m-SiO2 nano-catalyst has been synthesised with accessible active sites and ultra-large surface areas. The Pd/Fe3O4@SiO2@m-SiO2 nano-catalyst can be recovered by applying an external magnetic field. The catalytic activity of Pd/Fe3O4@SiO2@m-SiO2 is tested in the catalytic reduction of 4-nitrophenol and the hydrodechlorination of 4-chlorophenol. The high catalytic activity is attributed to the well-dispersed Pd nanoparticles on the ultra-large surface of Fe3O4@SiO2@m-SiO2. Furthermore, the Pd/Fe3O4@SiO2@m-SiO2 nano-catalyst can be reused at least five times without significant loss in activity, which confirms its good stability. Therefore, the approach mentioned above that is based on core–shell structured magnetic Pd/Fe3O4@SiO2@m-SiO2 provides a useful platform for the fabrication of Pd NP based catalysts that feature easy accessibility, superior activity and convenient recovery.

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TALANTA · 2014 · IF 3.511

Molecularly imprinted polymer grafted graphene for simultaneous electrochemical sensing of 4, 4-methylene diphenylamine and aniline by differential pulse voltammetry

Ningning Chen,Li Chen,Yuxiao Cheng,Kai Zhao,Xiaohong Wu,Yuezhong Xian

A sensitive and selective electrochemical sensor based on molecular imprinting polymers grafted graphene (MIPs-G) was developed for simultaneous measurement of 4, 4-methylene diphenylamine (MDA) and aniline by differential pulse voltammetry (DPV). MIPs-G was synthesized via free radical polymerization reaction using MDA and 4-vinyl pyridine as template molecule and functional monomer respectively. The obtained nanocomposites were characterized by transmission electron microscope, scanning electron microscope, Fourier transform infrared spectrometry, Raman spectroscopy and thermal gravimetric analysis . After removal template molecules, MIPs-G was used as electrode material for aromatic amines measurements. Due to the high binding affinity towards MDA and the π-π interaction with aniline, the MIPs-G based electrochemical sensor can be used for simultaneous detection of MDA and aniline by DPV. Under the optimized condition, the oxidation potentials for MDA and aniline were observed at 0.62 and 0.72   V, respectively. Moreover, MIPs-G modified glassy carbon electrode shows linear response towards MDA and aniline simultaneously over the range of 1.0 to 15   μM. The MIPs-G based electrochemical sensor has been applied for simultaneous measurement of MDA and aniline in plastic tableware.

CAS / MDL: 78-67-1
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BIOORGANIC CHEMISTRY · 2025 · IF 4.7

Molecular insights from multi-spectroscopy and computer simulations investigation on the xanthine oxidase inhibition by 2′,4′-dimethoxy-4-hydroxychalcone

Can Yang,Haiqi Xu,Puchen Zhao,Qin Yin,Na Wang,Lizi Li,Yan Liu,Yanfang Li

2′,4′-dimethoxy-4-hydroxychalcone ( 15b ) has been previously reported as a reversible competitive inhibitor of xanthine oxidase (XOD) with potent activity (> 10-fold vs. allopurinol), but its molecular interactions with the enzyme active site remain uncharacterized. In this research, an integrated approach consisting of multiple spectroscopic methods, isothermal titration calorimetry (ITC), and computer simulations was employed to investigate the binding mode of 15b on XOD. Consequently, ITC data confirmed that the stable 15b -XOD complex was formed spontaneously and driven mainly by hydrophobic interactions with the dissociation constant of the magnitude of 10 −7  mol·L −1 . Three-dimensional fluorescence and circular dichroism spectroscopy indicated that 15b binding induced a conformational transition in the XOD backbone , leading to an increase in global flexibility characterized by enhanced random coil and reduced α-helix/β-sheet. Synchronous fluorescence analysis demonstrated that 15b preferentially perturbed the microenvironment of tyrosine residues over tryptophan residues in XOD. Molecular docking studies (PDB: 1N5X , 2.5 Å) revealed that 15b occupied the xanthine access channel near the molybdenum-pterin (Mo-pt) center, forming critical hydrogen bonds with Arg880 and Thr1010. This binding sterically obstructed substrate xanthine access and subsequent uric acid production. Molecular dynamics simulations indicated that 15b formed a stable binding complex with XOD. Notably, 15b likely bound at the dimer interface and induced inter-subunit proximity, whereas 15b binding preserved the integrity of the surface polarity topology. Furthermore, 15b showed no cytotoxicity in AML-12 hepatocytes at 20 μmol·L −1 (cell viability >90 %) , while suppressing uric acid production (> 40 % reduction at 20 μmol·L − 1 ) . These findings may enrich the interaction mechanism of 15b with XOD and also provide a theoretical basis for ligand-guided design of future novel XOD inhibitors.

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BMC Chemistry · 2019 ·Vol. 13 ·期 1 ·1-15 · IF 0

Highly selective cleavage C–O ether bond of lignin model compounds over Ni/CaO–H-ZSM-5 in ethanol

Guo J.,Ma Yu L.,Yu Jia Y.,Gao Yu J.,Ma Ning X.,Wu Xiao Y.

Herein, 2-(2-methoxyphenoxy)-1-phenylethanol (β- O -4), 2-methoxyphenyl anisole (α- O -4) and 4-phenoxyphenol (4- O -5) were selected as typical lignin model compounds. Given the effectiveness of traditional acid–base catalysts for lignin depolymerisation, a novel Ni/CaO–H-ZSM-5(60) catalyst was prepared to investigate the difficulty level of C–O bond of three model compounds cleavage in ethanol. It was observed that Ni/CaO–H-ZSM-5(60) had prominent performance on the C–O bond cleavage at very mild conditions (140 °C, 1 MPa H 2 ). Among them, the C–O bond of α- O -4 and β- O -4 could be completely cleaved within 60 min. Although the C–O bond of 4- O -5 had high bond energy, 41.2% of conversion was occurred in 60 min. The introduction of CaO could regulate the acidity of H-ZSM-5 to enhance the ability to break C–O bonds. Moreover, the possible pathways of C–O ether bonds in three lignin model compounds cleavage were proposed in order to selectively obtain target products from the raw lignin degradation.

研究领域: 化学工程 · 催化科学
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Polymer Chemistry · 2023 ·Vol. 15 ·期 1 ·30-39 · IF 4.6

Fabrication of poly(4-vinylpyridine)-b-polystyrene-b-poly(4-vinylpyridine) triblock copolymer particles via three-dimensional soft confined self-assembly

Lei Guo,Dingli Xia,Yaping Wang,Shipeng Ding,Junting Xu,Yutian Zhu,Binyang Du

Using cetyltrimethylammonium bromide (CTAB) as a single surfactant, a series of symmetrical poly(4-vinylpyridine)-b-polystyrene-b-poly(4-vinylpyridine) (VmS24.2kVm) triblock copolymers with various molecular weights m of P4VP blocks (m = 3.0k, 6.3k, 7.9k, 13.4k) were employed to fabricate onion-like particles, spherical particles with an inner curved cylinder, convex lens (CL)-like particles with hexagonal P4VP cylinder and tulip-like particles with alternately stacked PS and P4VP lamella via three-dimensional soft confined self-assembly (3D-SCSA). Both the external shape and internal morphology of VmS24.2kVm particles were closely related to the volume fraction of the P4VP block and the concentration of CTAB. Upon increasing the volume fraction of the P4VP block, the internal phase separation structure of VmS24.2kVm particles changed from a cylinder to a lamella. Interestingly, as the concentration of CTAB increased, VmS24.2kVm particles changed from spherical (or onion-like) particles with a P4VP outmost layer to CL-like or tulip-like particles with a neutral interface, of which PS and P4VP blocks had an analogical preference to the oil/water interface, and finally into spherical particles with a PS outmost layer. The location of P4VP domains in VmS24.2kVm particles was clearly identified by selectively loading Au nanoparticles. It was the first time to observe VSV triblock copolymer particles with a neutral interface via 3D-SCSA using a single surfactant CTAB although it exhibits a preferred affinity and selective interaction with the PS block.

CAS / MDL: 57-09-0
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JOURNAL OF APPLIED POLYMER SCIENCE · 2018 ·Vol. 135 ·期 33 ·46624 · IF 1.901

Preparation of biocidal 4-ethyl-4-(hydroxymethyl)oxazolidin-2-one-based N-halamine polysiloxane for impregnation of polypropylene in supercritical CO2

Yong Chen,Qingkun He,Guoyuan Ren,Chunyan Feng,Na Li,Hao Yu,Qiuxia Han

A cyclic N -halamine precursor, 4-ethyl-4-(hydroxymethyl)oxazolidin-2-one (EHMO), was synthesized and attached to poly(methylhydrosiloxane) (PMHS) through silane alcoholysis between the O  H of EHMO and Si  H of PMHS. The alcoholysis product was chlorinated with tert -butyl hypochlorite to transfer the N  H to N  Cl and obtain an EHMO-based N -halamine polysiloxane. The N -halamine polysiloxane was impregnated into inert polypropylene (PP) fibers and formed a 72 nm coating layer using supercritical carbon dioxide (scCO 2 ) as solvent and swelling reagent at 28 MPa and 50 °C for biocidal application. The overall synthetic procedure and the impregnation process were characterized by FTIR, XPS, and SEM, respectively. The N-halamine polysiloxane layer on PP imparted potent antibacterial abilities against both Staphylococcus aureus and Escherichia coli while pristine ones did not exhibit noticeable killing activities. Stability tests showed that the N -halamine polysiloxane layer was resistant to washing cycles, storage, and UV irradiation and the rechlorination of lost chlorines was good. The strategy of using CO 2 -philic PMHS as carrier polymer and scCO 2 as working solvent for impregnation presents a general and friendly procedure to functionalize inert substrates without the need of chemical linkage and organic solvent. © 2018 Wiley Periodicals, Inc. J. Appl. Polym. Sci. 2018 , 135 , 46624.

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ELECTROCHIMICA ACTA · 2015 · IF 4.504

Ion diffusion and electrochromic performance of poly(4,4′,4″-tris[4-(2-bithienyl)phenyl]amine) based on ionic liquid as electrolyte

Xiaojing Lv,Shuanma Yan,Yuyu Dai,Mi Ouyang,Yuan Yang,Pengfei Yu,Cheng Zhang

Ionic liquids 1-butyl-3-methyl-imidazolium tetrafluoroborate ([BMIM]BF 4 ), 1-butyl-3-methylimidazoliumhexafluorophosphate ([BMIM]PF 6 ) and conventional medium tetrabutylammonium perchlorate (TBAP) were utilized as electrolyte for the preparation of poly(4,4′,4′'-tris[4-(2-bithienyl)phenyl]amine) (PTBTPA) films and assembling of EC devices. FTIR spectra and EDX pattern demonstrate an effective doping of the anion into the PTBTPA film at the oxidation state. SEM images investigate the thickness of the polymer films and the morphologies of crimped structure at the oxidation state. The ion diffusion distance (the thickness of polymer film) plays a more critical role for the EC switching speed. According to the electrochemical impedance spectra, the improved ionic conductivity with ionic liquid [BMIM]BF 4 as the electrolyte promote ions more easily dope into the polymer film which leads to the higher optical contrast. In addition, the size of doping anion during the redox process has essential influence on the electrochemical stability.

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JOURNAL OF SOLID STATE CHEMISTRY · 2025 · IF 3.5

Synthesis, structure and magnetic properties of two selenites, Li2Mn2.5(SeO3)4 and Li2Co3(SeO3)4 with a one-dimensional spin-chain

Mingming Huang,Shoushuang Li,Rui Cui,Laura C.J. Pereira,Ambre Theron,Olivier Mentré,Xiedong Cheng,Feifan Li,Hui Shao,Minfeng Lü

Two transition metal selenites Li 2 Mn 2.5 (SeO 3 ) 4 and Li 2 Co 3 (SeO 3 ) 4 were synthesized using hydrothermal and solid-state reactions, respectively. Both compounds form similar three-dimensional (3D) frameworks featuring twisted one-dimensional (1D) chains, where transition metal polyhedra connect through shared corners or edges. However, Li 2 Co 3 (SeO 3 ) 4 and Li 2 Mn 2.5 (SeO 3 ) 4 exhibit distinct structural features. The former contains one type of [4 + 2] Li, two different CoO 6 octahedra, and two SeO 3 pyramids. The latter possesses one type of [5 + 1] Li, one Mn 3+ O 6 octahedron, one Mn 2+ O 5 square-pyramid, and two SeO 3 pyramids. Consequently, the lithium polyhedron undergoes unusually strong irregular distortions in the cobalt compound, but experiences strong distortions in the manganese compound. Magnetic measurements confirm that Li 2 Co 3 (SeO 3 ) 4 with a S  = 3/2 uniform spin chain structure possess a long-range antiferromagnetic ordering and field-induced spin-flip transition at 2K, where the fitting via the Bonner–Fisher model with interchain mean-field corrections yields J intra /k B  = -4.32(2) K, J inter /k B  = −0.64(10) K, g  = 2.34(3). Systematic distortion regularities in central metal cation polyhedra emerge from quantifying the ratio of SeO 3 groups to total cation polyhedra within lithium transition metal selenites.

CAS / MDL: 1307-96-6
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PEST MANAGEMENT SCIENCE · 2024 · IF 3.8

Design, synthesis, antimicrobial activity, and mechanism of novel 3-(2,4-dichlorophenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole derivatives

Yuguo Zheng,Mei Chen,Renfeng Zhang,Wei Xue

BACKGROUND Plant pathogens cause substantial crop losses annually, posing a grave threat to global food security. Fungicides have usually been used for their control, but the rapid development of pesticide resistance renders many ineffective, therefore the search for novel and efficient green pesticides to prevent and control plant diseases has become the top priority in crop planting. RESULTS The results of bioassay studies indicated that most of the target compounds showed certain antimicrobial activity in vitro . In particular, compound X7 showed high inhibitory activity against Xanthomonas oryzae pv. oryzae ( Xoo ), with an EC 50 value of 27.47 μg mL −1 , surpassing conventional control agents such as thiazole zinc (41.55 μg mL −1 ) and thiodiazole copper (53.39 μg mL −1 ). Further studies on molecular docking showed that X7 had a strong binding affinity with 2FBW. The morphological change observed by scanning electron microscopy indicated that the surface of Xoo appears wrinkled and cracked under X7 treatment and a total of 2662 proteins were identified by label-free proteomic analysis. Three experiments have elucidated the mechanism whereby X7 induced considerable changes in the physiological and biochemical properties of Xoo , which in turn affected the reproduction and growth of bacteria. CONCLUSION This work represents a pivotal advancement, offering important reference for the research and development therapeutics in combating plant pathogens. © 2024 Society of Chemical Industry.

研究领域: 农业化学 · 植物病理学 · 药物科学
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JOURNAL OF MOLECULAR LIQUIDS · 2019 · IF 4.561

Thermophysical properties of 4-dimethylaminopyridine based ionic liquids

Dongren Cai,Nisakorn Saengprachum,Zhipeng Lin,Ting Qiu

In this study, a molecular simulation (Gaussian03) was used to analyze the chemical structure of 4-dimethylaminopyridine (DMAP) to investigate its use for the synthesis of ionic liquids (ILs). Based on DMAP, a series of new ILs was prepared and characterized by fourier transform infrared spectroscopy (FT-IR), 1 H nuclear magnetic resonance ( 1 H-NMR), thermogravimetric analysis (TGA), and differential scanning calorimeter (DSC). The density data of the studied ILs were measured from 328.15 K to 358.15 K, p  = 0.101 MPa. It is shown that density decreases with an increase in the temperature and the alkyl chain length of cations. And density is also affected by the anion type. Furthermore, the volume of ions, NBO charges, and the interactions of anions and cations were calculated by Gaussian03 to explain the obtained density results. The second-order polynomial equation was adopted to correlate the relationship of density and temperature. Then, an isobaric thermal expansion coefficient , molecular volume, and lattice potential energy were obtained from the density data. Viscosity was determined from 323.15 K to 368.15 K, p  = 0.101 MPa. It is determined that the viscosity of ILs decreases with an increase in the temperature but increases with an increase in the alkyl chain length of cations. The temperature dependence of viscosity was described by the Vogel-Fulcher-Tamman (VFT) model, and the activation energy of viscous flow ( E η ) was obtained. Furthermore, the decomposition temperature ( T d ), glass transition temperature ( T g ), and melting temperature ( T m ) of ILs were obtained from the results of TGA and DSC.

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