RSC Advances
·
2018
·Vol. 8
·期 37
·20829-20835
·
IF 2.936
Fang Wu,Dengfeng He,Lei Chen,Fangqin Liu,Haolong Huang,Jiangshan Dai,Shiyong Zhang,Jingsong You
Herein, antibacterial coordination polymer hydrogels were conveniently fabricated in water via coordination between silver nitrate and PEGylated bisimidazolylbenzyl alcohol (1a–c). These coordination polymer hydrogels exhibit much better antibacterial activity than silver nitrate against both Gram-negative and Gram-positive pathogens including multidrug-resistant pathogens. The coordination polymer Ag/1c with a long PEG chain (PEG1000) was demonstrated to be the most effective antibacterial material, and its minimum inhibition concentrations (MICs) could be as low as 15.2 times for common Staphylococcus aureus and 4.8 times for methicillin-resistant Staphylococcus aureus over that of silver nitrate. With improved antibacterial performance, easy preparation method, improved stability, sustained releasability, outstanding ductility and low cytotoxicity, the as-prepared coordination polymer hydrogels should find various potential applications such as in clinical burn and wound dressings, biofilms, bioadhesives, and coatings of biomedical materials.
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JOURNAL OF ORGANIC CHEMISTRY
·
2022
·
IF 4.198
Jiawen Wu,Cunbo Wei,Fen Zhao,Wenqian Du,Zhishuai Geng,Zhonghua Xia
A convenient and mild protocol for the gold-catalyzed intermolecular coupling of o-alkynylphenols with haloalkynes to give vinyl benzofurans is reported. In this work, the gold catalyst SIPrAuCl and the co-catalyst NaBARF would corporately promote the intramolecular cyclization of the o-alkynylphenol to benzofuran, and then a selective hydroarylation of benzofuran to haloalkyne was catalyzed by the same catalysts. Computational studies suggest that the hydroarylation process takes place via a concerted nucleophilic attack pathway of the benzofuran to the C2 carbon of the activated haloalkyne, and reveal the original driving force of this hydroarylation process.
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DRUG METABOLISM AND DISPOSITION
·
2024
·Vol. 52
·期 3
·188-197
·
IF 4.4
Ying Liu,Yu Chen,Jingyu Zhang,Guangyun Ran,Zihao Cheng,Xin Wang,Yufen Liao,Xu Mao,Ying Peng,Weiwei Li,Jiang Zheng
Dihydrotanshinone I (DHTI) is a pharmacologically active component occurring in the roots of the herbal medicine Salvia miltiorrhiza Bunge. This study investigated DHTI-induced inhibition of CYP1A1, CYP1A2, and CYP1B1 with the aim to determine the potential effects of DHTI on the bioactivation of estradiol (E2), possibly related to preventive/therapeutic strategy for E2-associated breast cancer. Ethoxyresorufin as a specific substrate for CYP1s was incubated with human recombinant CYP1A1, CYP1A2, or CYP1B1 in the presence of DHTI at various concentrations. Enzymatic inhibition and kinetic behaviors were examined by monitoring the formation of the corresponding product. Molecular docking was further conducted to define the interactions between DHTI and the three CYP1s. The same method and procedure were employed to examine the DHTI-induced alteration of E2 metabolism. DHTI showed significant inhibition of ethoxyresorufin O-deethylation activity catalyzed by CYP1A1, CYP1A2 and CYP1B1 in a concentration-dependent manner (IC50 = 0.56, 0.44, and 0.11 μM, respectively). Kinetic analysis showed that DHTI acted as a competitive type of inhibitor of CYP1A1 and CYP1B1, whereas it noncompetitively inhibited CYP1A2. The observed enzyme inhibition was independent of NADPH and time. Molecular docking analysis revealed hydrogen bonding interactions between DHTI and Asp-326 of CYP1B1. Moreover, DHTI displayed preferential activity to inhibit 4-hydroxylation of E2 (a genotoxic pathway) mediated by CYP1B1. Exposure to DHTI could reduce the risk of genotoxicity induced by E2.
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MOLECULES
·
2024
·Vol. 29
·期 8
·1721
·
IF 4.2
Shoudong Wang,Lei Zhou,Hongyun Qin,Zixu Dong,Haoyuan Li,Bo Liu,Zhilu Wang,Lina Zhang,Qiang Fu,Xia Chen
Hydrofluorocarbons (HFCs) have important applications in different industries; however, they are environmentally unfriendly due to their high global warming potential (GWP). Hence, reclamation of used hydrofluorocarbons via energy-efficient adsorption-based separation will greatly contribute to reducing their impact on the environment. In particular, the separation of azeotropic refrigerants remains challenging, such as typical mixtures of CH2F2(HFC-23) and CHF3(HFC-32), due to a lack of adsorptive mechanisms. Metal–organic frameworks (MOFs) can provide a promising solution for the separation of CHF3–CH2F2mixtures. In this study, the adsorption mechanism of CHF3–CH2F2mixtures in TIFSIX-2-Cu-i was revealed at the microscopic level by combining static pure-component adsorption experiments, molecular simulations, and density-functional theory (DFT) calculations. The adsorption separation selectivity of CH2F2/CHF3in TIFSIX-2-Cu-i is 3.17 at 3 bar under 308 K. The existence of similar TiF62−binding sites for CH2F2or CHF3was revealed in TIFSIX-2-Cu-i. Interactions between the fluorine atom of the framework and the hydrogen atom of the guest molecule were found to be responsible for determining the high adsorption separation selectivity of CH2F2/CHF3. This exploration is important for the design of highly selective adsorbents for the separation of azeotropic refrigerants.
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Frontiers in Chemistry
·
2019
·
IF 3.782
Dongya Wang,Peng Yi,Lin Wang,Lu Zhang,Hai Li,Min Lu,Xiaoji Xie,Ling Huang,Wei Huang
Black phosphorus, an emerging layered material, exhibits promising applications in diverse fields, ranging from electronics to optics. However, controlled synthesis of black phosphorus, particularly its few-layered counterparts, is still challenging, which should be due to the unclear growth mechanism of black phosphorus. Here, taking the most commonly used Sn-I assisted synthesis of black phosphorus as an example, we propose a growth mechanism of black phosphorus crystals by monitoring the reactions and analyzing the as-synthesized products. In the proposed mechanism, Sn24P19.3I8 is the active site for the growth of black phosphorus, and the black phosphorus crystals are formed with the assistance of SnI2, following a polymerization-like process. In addition, we suggest that all Sn-I assisted synthesis of black phosphorus should share the same reaction mechanism despite the differences among Sn-I containing additives. Our results shown here should shed light on the controlled synthesis of black phosphorus and facilitate further applications of black phosphorus.
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Animal Nutrition
·
2026
·
IF 8.3
Wang F,Bao Y,Zhao Y,Lai J,Yu E,Jiang F,Xu J.
The physiological impacts of bile acids (BA) conjugation states remain underexplored in aquatic species. This study investigated the effects of supplementing conjugated BA (bile salts [BS]) or non-conjugated BA (free bile acids [FBA]) on the intestinal health of pearl gentian grouper ( Epinephelus fuscoguttatus ♂ × Epinephelus lanceolatus ♀) fed a high plant-protein diet for 8 weeks. A total of 300 healthy juveniles (approximately 90-d-old; initial body weight 15.21 ± 0.04 g) were randomly distributed into four dietary groups in triplicate (25 fish per tank): CD group (a fishmeal-based control diet [CD]), PD group (a plant protein-based diet [PD], with 50% fishmeal replaced by cottonseed protein concentrate), BS group (PD supplemented with 0.09% BS), and FBA group (PD supplemented with 0.09% FBA). Compared to the CD group, the PD group significantly impaired growth performance (final body weight and weight gain rate), gut morphology (muscle thickness, plica height, and width), and induced inflammatory response, oxidative stress, endoplasmic reticulum stress, cell apoptosis, and dysregulated amino acid metabolism ( P P P < 0.05). In conclusion, BS, but not FBA, effectively attenuates intestinal damage and promotes health in groupers fed high plant-protein diets, highlighting the critical importance of BA conjugation in nutritional interventions.
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JOURNAL OF MEMBRANE SCIENCE
·
2026
·
IF 8.8
Yingyao He,Zixuan Ge,Dandan Su,Yi Yuan,Jianqiang Wang,Guiliang Li,Jie Gao,Mihail Barboiu,Fu Liu
Polyamide (PA) membranes prepared via interfacial polymerization have been widely used for nanofiltration (NF) processes for which breaking the permeability/selectivity trade-off remains a key challenge. Lower performances are obtained from thick or defect polyamide layers, largely due to the rapid reaction of monomers during interfacial polymerization. In this study, functional additives, bis-hexylureido-imidazole (DC6) and bis-octylureido-imidazole (DC8), were mixed with the aqueous phase containing piperazine (PIP) to regulate the interfacial polymerization reaction and indirectly enhance water permeation behaviors. DC8 could form a self-assembled tetrameric I-quartet superstructure in the aqueous phase, which slows down PIP diffusion towards the oil-water interface, promoting the formation of a thinner, and more uniform PA layer. Density functional theory (DFT) and molecular dynamics (MD) simulations were further used to confirm the above findings. The optimized membrane exhibited excellent rejection of both Na 2 SO 4 (96.2 %) and MgCl 2 (93.7 %), ∼ 50% increased water permeability from 16.5 L·m -2 ·h -1 ·bar -1 up to 24.4 L·m -2 ·h -1 ·bar -1 and high (SO 4 2- /Cl - = 28.9, Mg 2+ /Na + = 13.0 selectivity) during 60 hours stable evaluation with mixed salts. The study offers a new strategy for regulating interfacial polymerization via self-assembled imidazole I-quartets and expands the application of such supramolecular assemblies in designing high-performance membranes for efficient nanofiltration.
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NATURE
·
2026
·Vol. 654
·期 8117
·69-75
·
IF 56.1
Wang Di,Li Saisai,Ding Zijin,Xu Jian,Chen Xingyu,Zheng Qiao,Alshahrani Thamraa,Liu Siyu,He Tingwei,Yue Xinxin,Qaid Saif M. H.,Wei Keyu,Fu Xuewen,Feng Lin,Yang Ou,Ju Huanxin,Jiang Yuanzhi,Chen Jun,Yuan Mingjian
Conventional n–i–p architecture remains a robust platform for scalable perovskite photovoltaics 1 , 2 , yet its steady-state efficiency has stagnated at about 26% (ref. 3 ), lagging behind their p–i–n counterparts 4 . This performance gap arises from persistent non-radiative recombination at textured electron transport layer (ETL)/perovskite interfaces, yet the underlying physical origin remains unknown. Here we show that these losses originate from the synergistic combination of band misalignment and electron accumulation at the buried interface. To address this dual challenge, we develop a continuously graded n + /n-doped SnO 2 ETL through a ligand-competitive binding strategy, which enables spatially defined doping that creates a built-in electric field. This graded architecture simultaneously minimizes band offset and accelerates electron extraction, thereby effectively suppressing the cross-interface recombination. The resulting n–i–p perovskite solar cells (PSCs) achieve a certified steady-state power conversion efficiency (PCE) of 27.17% (27.50% in reverse scan), the highest for n–i–p PSCs reported so far. The scalability of this strategy is further demonstrated by achieving a PCE of 25.79% for a 1 cm 2 device and 23.33% for a perovskite module with a 16.02 cm 2 aperture area. This work establishes a generalized example for energy-band engineering in metal-oxide transport layers, overcoming a fundamental efficiency bottleneck in conventional perovskite photovoltaics.
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NATURE STRUCTURAL & MOLECULAR BIOLOGY
·
2025
·
IF 10.1
He Zhaoxiang,Teng Fei,Yang Yanqing,Guo Ruiyang,Wu Mengchen,Han Fangzhu,Tian Hongtao,Wang Jiawei,Hu Yiqi,Jiang Yangwei,Zhang Leili,Xu Chenyang,Yang Fan,Zhou Jiancang,Zhang Shan,Letts James A.,Zhou Ruhong,Zhou Long
Metformin is the only antihyperglycemic biguanide targeting type 2 diabetes mellitus with proven safety. Although a mechanism of action involving tight inhibition of the respiratory complex I has been proposed for hydrophobic biguanides, it remains elusive for the hydrophilic metformin, whose excellent pharmacological tolerance depends on weak complex I inhibition without competitive nature. Here we solved cryo-electron microscopy structures of the metformin-bound porcine respirasome. Our structural and kinetic data are consistent with a model in which metformin enters complex I only in its open state and becomes trapped at the ubiquinone redox site by ubiquinone-induced conformational closing of the enzyme. By contrast, the hydrophobic proguanil alone occupies both the entrance and the redox site of the ubiquinone channel in open and closed complex I and is kinetically consistent with competitive inhibition with conformation-dependent affinities. Our data provide the molecular basis for metformin’s well-known superior properties, such as a wide therapeutic window and positive ubiquinone cooperativity, leading to its clinical success and facilitating future therapeutic developments.
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INTERNATIONAL JOURNAL OF HYDROGEN ENERGY
·
2023
·
IF 7.2
Hui Zhang,Qiang Fu,Hongyun Qin,Xia Chen,Qicheng Zhang,Zixu Dong,Haoyuan Li,Shoudong Wang,Ming Wang
Hydrogen recovery from ammonia purge gas is a desirable method to relieve the pressure of increasing demand for hydrogen. Metal-organic frameworks (MOFs) are promising adsorbents for the separation of the H 2 –N 2 mixture. However, the separation of the H 2 –N 2 mixture using MOFs remains challenging due to the lack of adsorptive mechanism. Herein, the adsorption mechanism of the H 2 –N 2 mixture in SIFSIX-2-Cu-i has been systematically investigated with the method of a combination of excess adsorption experiments, molecular simulations , and DFT calculations. In the Grand Canonical Monte Carlo (GCMC) simulations, the polarizable force field was first applied to the adsorption of pure H 2 or N 2 and H 2 –N 2 mixture in SIFSIX-2-Cu-i. Ab Initio Molecular Dynamics (AIMD) was performed to investigate the distribution of the guest molecules in the pores of SIFSIX-2-Cu-i. Finally, Density functional theory (DFT) calculations were performed to predict the transfer of charge between MOF and guest molecules. Results revealed two binding sites of H 2 or N 2 in SIFSIX-2-Cu-i. A relatively high thermodynamic adsorption selectivity for N 2 over H 2 has been observed in SIFSIX-2-Cu-i. Furthermore, SIFSIX-2-Cu-i also exhibits a greater affinity with N 2 than with H 2 , which is probably because of the stronger induction interactions between F2 atoms and N 2 molecules. These findings are of significance to guide the design of the new highly selective adsorbents for the separation of H 2 /N 2 .
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Materials Today Chemistry
·
2023
·
IF 7.3
D. Ma,Y. Lan,D. Zhang,X. Qin,Z. Yang,H. He,X. Dai,Z. Ye,X. Cao
Organic-inorganic perovskite materials have shown excellent performance and strong competitiveness in high-performance photovoltaic and optoelectronic devices. Besides the color-tunable and narrow-band emissions realized in hybrid perovskites, broadband emission from lead-halide perovskites has also attracted strong interest for applications in the next generation of solid-state lighting. Although great progress has been made in lead halide perovskites, a very important aspect that hinders their commercial exploitation is the severe lead toxicity. In this research, a lead-free copper(I)-iodine hybrid was synthesized by a solution evaporation method at room temperature. Single crystal X-ray diffraction shows that this hybrid possesses the chemical formula of C 6 H 5 CH 2 CH 2 NH 3 CuI 2 . The C 6 H 5 CH 2 CH 2 NH 3 CuI 2 belongs to the monoclinic phase with the C2/c space group, where the edge-sharing [CuI 4 ] tetrahedral chains are separated by organic C 6 H 5 CH 2 CH 2 NH 3 + ions, exhibiting one-dimensional (1D) crystal structure. The optical band-gap of C 6 H 5 CH 2 CH 2 NH 3 CuI 2 was determined to be 4.02 eV. The photoluminescence (PL) spectrum shows a broadband emission ranging from 380 nm to 780 nm and peaks at 542 nm together with a small peak at 336 nm, which can be attributed to the emission of self-trapped exciton (STE) and free exciton (FE), respectively. The large Stokes shift of 230 nm between the PL and photoluminescence excitation (PLE) as well as the broad emission was ascribed to the Jahn–Teller lattice distortion of [CuI 4 ] tetrahedra. The reduced 1D characteristic facilitates the tetrahedral distortion. PL decay analysis shows that the average lifetime of STE is about 66.9 ns? Temperature and time-dependent PL measurements show that the normal working temperature of this luminescent material should be no higher than 100 °C. Theoretical calculations were performed to better understand this compound. The successful synthesis and preliminary optical investigations on C 6 H 5 CH 2 CH 2 NH 3 CuI 2 can be of great significance for offering more environmental-benign options in both solid-state lighting and other perovskite optoelectronic devices.
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Oncologie
·
2023
·Vol. 25
·期 3
·233-243
·
IF 0.9
Simin Deng,Yuan Xu,Binbin Gao,Tingting Yu,Lun Kuang,Bo’ang Han,Shaolun Feng,Haodong Chi,Qing Cao,Shen Yue,Chen Liu
Objectives
The Sonic hedgehog (SHH) signaling is essential in animal development and tissue homeostasis. Aberrant activation of SHH pathway has been implicated in tumorigenesis and progression of several cancers, including ovarian cancer. Therefore, targeting SHH pathway may pave the way for successful ovarian cancer treatment.
Methods
To identify the potential SHH inhibitors from traditional Chinese medicines, we herein employed two in vitro cell models. In addition, western blotting and quantitative real-time PCR were performed to evaluate the inhibitory activity of Anemarrhenasaponin I (An-I) on SHH signaling in ovarian cancer cells. Cell proliferation assay and transwell assay were used to assess the effect of An-I on tumorigenicity. We also applied RNA-seq to examine the potential mechanism of An-I against ovarian cancer.
Results
Drug screening results showed that An-I drastically inhibited SHH signaling. More importantly, An-I effectively suppressed ovarian cancer cell proliferation and aggressiveness. RNA-seq-based transcriptome data showed that An-I affected ovarian cancer cells by suppressing SHH-WNT-Matrix metalloproteinases (MMPs) pathway.
Conclusions
An-I suppressed ovarian cancer progression by inhibiting SHH-WNT-MMP signaling transduction, providing a new treatment strategy for ovarian cancer.
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