FUEL
·
2022
·
IF 8.035
Yi Liu,Ying Chen,Shuang Ma,Xianlong Liu,Xiangwen Zhang,Ji-Jun Zou,Lun Pan
High-energy–density (HED) fuels have attracted extensive attention for volume-fixed aerospace vehicles because they can provide more propulsion energy to increase the payload and range of aerospace vehicles. Herein, we report a route for synthesis of HED fuel, pentacyclo[8.2.1.1 4,7 .0 2,9 .0 3,8 ]tetradecane (PCTD) with strained structure, by photoinduced intermolecular [2 + 2] cycloaddition of norbornene (NBE). The triplet quenching and phosphorescence quenching results indicate that NBE cycloaddition is conducted through the photosensitized processes containing triplet–triplet energy transfer, cyclization and relaxation. The reaction conditions are optimized to obtain the high photocatalytic activity, with the NBE conversion and PCTD selectivity reaching 78.7% and 94.4%, respectively. Moreover, a kinetic model is proposed with the reaction rate equation being correlated with the incident light flux, with the pseudo reaction kinetics parameters and reaction rate equations obtained. Importantly, PCTD shows high density of 1.024 g/mL and high volumetric net heat of combustion of 42.98 MJ/L, much higher than those of JP-10. In addition, blending with JP-10 or QC can significantly improve cryogenic properties of blended fuels, which is very promising for the practical application.
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DOI
高影响因子
POLYHEDRON
·
2014
·
IF 2.047
Tianzhi Yu,Ruizhi Liang,Yuling Zhao,Yalu Song,Bin Gao,Minghao Li,Luofu Min,Hui Zhang,Duowang Fan
Lanthanide complexes of the form Ln(DBM) 3 (Cz-PBM) (where Ln = Gd(III), Tb(III) and Eu(III); DBM = dibenzoylmethane and Cz-PBM = (4-(9 H -carbazol-9-yl)phenyl)methyl-2-(2′-pyridyl)benzimidazole) have been successfully synthesized and characterized. The crystal structures of the Gd(III) and Tb(III) complexes were determined by single-crystal X-ray analysis. The results reveal that in the complexes the central metal ions assume a square antiprismatic geometry and are octa-coordinated by six oxygen atoms from DBM ligands and two nitrogen atoms from the Cz-PBM ligand. Under excitation with ultraviolet light, the Eu(III) complex exhibited a strong red emission, but the Tb(III) complex did not show the characteristic emissions of the Tb 3+ ion. The results show that the ligands favor energy transfers to the emitting energy level of Eu 3+ .
研究领域:
无机化学
·
材料科学
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DOI
高影响因子
CHEMOSPHERE
·
2019
·
IF 5.108
Yating Jia,Fan Hu,Yuancai Lv,Yuancai Chen,Yongyou Hu
Polybrominated diphenyl ethers (PBDEs) are widely used as flame retardants and challenges for water treatment due to their persistence and toxicity. In this study, the reduction of 2′2′4′4′-tetrabromodiphenyl ether (BDE-47) was investigated in a nano-bio-integrated system. Results showed that the introducing of P. putida could markedly accelerate the demineralization of BDE-47 in nZVI/Pd- P.p system; the continuous generation of acidic metaboliates by P. putida could decrease pH, which could alleviate the surface passivation to some extent, resulting in the releasing of Fe 2+ and high generation of H 2 O 2 , the shift in reactive oxygen species from Fe(IV) to •OH. The BDE-47 was firstly debrominated to the DE by the highly reductive [Pd·2H] generated by nZVI/Pd, then oxidized to bromophenol and phenol, catechol as well as hydroquinone via the P. putida strain and the Fenton-like system. The toxicity assays confirmed the combined system could avert generation of nocuous intermediates, and could be an alternative strategy for complete remediation of recalcitrant POPs.
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DOI
PubMed
高影响因子
Journal of Food Measurement and Characterization
·
2026
·
IF 3.6
Yang Xue,Jiang Shasha,Ren Tong,Zhuo Meng,Hou Yanwei,Su Yingyu,Hou Xueyan,Yan Huijuan
Fruit preservation and shelf life extension rely heavily on effective materials, but current methods often fail to combine key functions like antibacterial protection and freshness retention. This study aims to develop a multifunctional hydrogel to address the existing challenges in grape preservation. The hydrogel, termed as CS- se -HA gel , was fabricated via Schiff base reactions between dialdehyde chitosan (DACS) and 2,2’-diselanediyldiethanamine (DD)-conjugated hyaluronic acid (DDHA) polymers. Studies found that CS- se -HA gel possessed an outstanding swelling ratio, low cytotoxicity, good water retention, and excellent mechanical properties. Besides, it also showed potent antibacterial activity, which prevented the treated grapes from rotting and wrinkling. Significantly, CS- se -HA gel also decreased water loss from grapes and maintained their total soluble solid (TSS) and pH stability, prolonging the shelf life of harvested grapes at ambient temperature. Therefore, it could be speculated that CS- se -HA gel has potential applications for fruit preservation in the food industry.
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DOI
高影响因子
ACS Applied Nano Materials
·
2023
·
IF 5.9
Shanyi Wang,Weihao Jin,Yujia Wu,Wanzhen Li,Yugui Tao,Jun Wang,Kai Yang,Weiwei Zhang,Lin Gui,Fei Ge
Drug-resistant bacterial infections pose a significant threat to global public health. Furthermore, the formation of biofilms makes traditional antibiotic treatments significantly less effective in killing multidrug-resistant (MDR) bacteria. In this work, we prepared a molybdenum disulfide (MoS2) nanosphere-based nanocomposite that utilized both photothermal therapy (PTT) and chemodynamic therapy (CDT) for effectively eradicating biofilms. A layer of manganese dioxide (MnO2) was adsorbed onto the surface of the MoS2 nanospheres by redox and electrostatic adsorption methods, and the resulting MoS2/MnO2 were loaded with 2,2′-azobis[2-(2-imidazolin-2-yl)propane]-dihydrochloride (AIPH) to form the MoS2/MnO2-AIPH nanocomposite (MMA). The microenvironment of biofilms is slightly acidic, lacks oxygen, and has a high concentration of glutathione (GSH). The MnO2 was capable of reacting with GSH to deplete it while also generating •OH radicals for CDT. In the presence of NIR light (808 nm), the temperature increase brought about by PTT further enhanced the CDT efficacy synergistically. The results showed that the photothermal conversion efficiency of the MMA was 40.5% at a concentration of 100 μg/mL, and the biofilm eradication rate of both MDR Escherichia coli and MDR Staphylococcus aureus was above 90%. The high bacterial inhibition rate (above 96%), as well as the excellent biosafety and biocompatibility of the MMA nanocomposite enabled it to effectively promote wound healing, which has significant implications in treating bacterial infections and promoting wound healing in clinical settings.
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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.
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PubMed
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.
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高影响因子
JOURNAL OF COORDINATION CHEMISTRY
·
2018
·
IF 1.703
Kuan-Guan Liu,Ru Wang,Hong-Yan Han,Qi-De Shan,Jing Nie,Xiao-Wei Yan
Incorporating ferrocenecarboxylato(-1) into [CuI
2(μ-dppm)2]2+ (dppm = bis(diphenylphosphino)methane) led to the isolation of a heterometallic complex [Cu2(μ2-η1,η1dppm)2(μ2-η1, η1FcCOO)(CH3CN)]BF4·CH3CN (1). It was characterized by infrared spectroscopy (IR), elemental analysis (EA), powder X-ray diffraction analysis (PXRD), ultraviolet–visible spectrum (UV–Vis), nuclear magnetic resonance (NMR), and thermogravimetric analysis (TGA). Single-crystal X-ray structural analysis revealed that ferrocenecarboxylato(-1) coordinated to the [Cu2(μ2-η1,η1dppm)2]2+ unit via μ2-η1,η1 bridging mode in 1. The title complex shows good optical absorption and thermal stability, and reliable electrochemical stability. Moreover, this heterometallic copper(I) complex could be used as a promising electrochemical sensing material for the detection of H2O2.
研究领域:
化学
·
材料科学
·
分析化学
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DOI
高影响因子
RARE METALS
·
2020
·Vol. 39
·期 12
·1473-1482
·
IF 2.161
Feng Shao-Ping,Huang Kun
Abstract Separation of palladium (Pd) and platinum (Pt) by solvent extraction is difficult because of their extremely similar physicochemical properties. Development of new extractants with a high extraction efficiency and excellent separation selectivity is the primary focus for enhancing the separation of Pd and Pt by solvent extraction. In this study, a new extractant, 2-((2-methoxyethyl)thio)-1H-benzimidazole (MOBI), which contains N, S, and O atoms, was synthesized and used to separate Pd(II) and Pt(IV) from a hydrochloric acid aqueous solution. The experimental results revealed that Pd(II) and Pt(IV) were effectively separated under the optimal conditions: MOBI concentration of 0.005 mol·L −1 , HCl concentration of 0.2 mol·L −1 , organic/aqueous (O/A) phase ratio of 1.0, and contact time of 15 min. The separation coefficient between Pd(II) and Pt(IV) was 1246.40, which indicates that MOBI has a higher selectivity for Pd(II) than Pt(IV). In addition, the mechanism of coordination between Pd(II) and MOBI was demonstrated through the slope method, Fourier transform infrared spectroscopy (FTIR), hydrogen-1 nuclear magnetic resonance spectroscopy ( 1 H NMR), and carbon-13 nuclear magnetic resonance spectroscopy ( 13 C NMR). The results revealed that MOBI could coordinate with Pd(II) via the N atom in the benzimidazole ring of MOBI molecules to form [Pd(MOBI) 2 Cl 2 ] (O) . Graphic abstract
研究领域:
化学
·
材料科学
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DOI
高影响因子
JOURNAL OF FLUORESCENCE
·
2016
·Vol. 27
·期 2
·701-714
·
IF 1.601
Gan Qian,Qi Yongyu,Xiong Yahong,Fu Yinlian,Le Xueyi
Two new mononuclear mixed ligand copper(II) complexes [Cu(PBO)(Gly-gly)(H 2 O)]·ClO 4 ·1.5H 2 O ( 1 ) and [Cu(PBO)(Gly- L -leu)(H 2 O)]·ClO 4 ( 2 ) (PBO is 2-(2′-pyridyl)benzoxazole, Gly-gly and Gly- L -leu are Glycyl-glycine anion and Glycyl- L -leucine anion, respectively), have been prepared and characterized by various analytical and spectral techniques. The interactions of the complexes with DNA were investigated using multi-spectroscopic methods (absorption, emission, circular dichroism), viscometry and electrochemical titration as well as molecular docking technique. The results indicated that 1 and 2 are bound to calf thymus DNA (CT-DNA) through an intercalative mode. The thermodynamic analyses revealed that the reactions between the Cu(II) complexes with DNA are spontaneous with negative Gibbs free energy (Δ G ). The positive changes of enthalpy (Δ H ) and entropy (Δ S ) suggested that the binding processes are dominated by hydrophobic interaction accompanying with endothermic. Also, the complexes exhibited efficient oxidative cleavage of pBR322 plasmid DNA in the presence of ascorbic acid, probably induced by •OH as reactive oxygen species. In addition, 1 and 2 displayed excellent antioxidant activities with the IC 50 values of 0.112 and 0.191 μM, respectively, using the mean of nitroblue tetrazolium (NBT) photochemical reduction under a nonenzymatic condition. Moreover, the complexes were screened for their in vitro cytotoxicity against three human carcinoma cell lines (HeLa, PC-3 and A549), in which 2 owns higher cytotoxicity, which was consistent with DNA binding and cleavage ability order of the complexes. This results showed the in vitro biochemical potentials of the Cu(II)-dipeptide complexes with aromatic heterocyclic, viz. effective metallopeptide-nucleases, SOD mimics and non-platinum chemotherapeutic metallopharmaceuticals and their structure-activity relationship, which may contribute to the rational molecular design of new metallopeptide based chemotherapeutic agents.
研究领域:
生物化学
·
药理学
·
分子生物学
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DOI
高影响因子
CHEMISTRY & BIODIVERSITY
·
2026
·Vol. 23
·期 10
·e71800
·
IF 2.9
Qian Luo,Yu Yang,Rui Xu,Xue Zhao,Hui‐Fang Tan,Yu‐Ying Wei,Er‐Wei Li,Li‐Xia Chen,You‐Zhi Zhang,Chang‐Wei Li
Two new 3,4‐ seco ‐ergostane‐type steroidal saponins ( 1 and 2 ) were isolated from the fermentation products of the fungus Xylaria necrophora SZSS1‐2‐2, together with four known compounds: 2‐hexylidene‐3‐methylsuccinic acid ( 3 ), xylcarpin C ( 4 ), (24 R )‐22,23‐dihydroxy‐ergosta‐4,6,8(14)‐trien‐3‐one 23‐ β ‐D‐glucopyranoside ( 5 ), and 5‐carboxymellein ( 6 ). The structures and absolute configurations of the new compounds were elucidated by comprehensive spectroscopic analyses, electronic circular dichroism (ECD), and GIAO 1 3 C NMR computational methods, and chemical hydrolysis followed by derivatization to determine the D‑mannose configuration of the sugar moiety. All isolated compounds ( 1–6 ) were evaluated for their biological activities. Only compound 5 showed selective inhibitory activity, inhibiting BV2 microglial cells with an IC 50 value of 17.10 ± 4.18 µM. Additionally, none of the compounds exhibited antimicrobial activity against the tested microorganisms. Two new 3,4‐seco‐ergostane saponins ( 1 – 2 ) and four known compounds were isolated from Xylaria necrophora . Structures were elucidated via spectroscopy, ECD, and computational NMR. Compound 5 selectively inhibited BV2 microglial cells (IC 5 0 = 17.10 µM), while all compounds showed no antimicrobial activity against tested microorganisms.
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PubMed
高影响因子
BIOTECHNOLOGY AND BIOENGINEERING
·
2025
·
IF 3.6
Wenzhe Ma,Wanqing Wei,Jian Wen,Cong Gao,Guipeng Hu,Xiaomin Li,Jia Liu,Jing Wu,Wei Song
The synthesis of tertiary amides is crucial in pharmaceutical manufacturing, but achieving this efficiently through enzymatic methods remains challenging. Here, we describe the screening, evolution, and application of a lactamase for the synthesis of 2-(2-oxopyrrolidin-1-yl)-butanoic acid (2-OYBA) in aqueous phase. Through database mining, we identified a lactamase from Paraburkholderia xenovorans ( Px AmpC) with the highest amide synthesis activity in this study at 31.3 U/g. Using protein crystallization, molecular dynamics simulations, and quantum mechanics calculations, we proposed and verified three potential synthesis mechanisms for 2-OYBA. We identified a mechanism for synthesis of 2-OYBA involving adenylation and lactamization, with the carboxyl group in the intermediate 2-2 (INT2-2) acting as a proton shuttle. Guided by this mechanism, rational design efforts enhanced amide synthesis activity by 16.6-fold. The Px AmpC mutants also exhibited a broader substrate scope for amide bond synthesis compared to the wild type. Our findings advance the green synthesis of complex amide compounds.
研究领域:
生物化学
·
酶工程
·
制药工业
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DOI
PubMed
高影响因子
危险品化学品经营许可证（带存储）