JOURNAL OF MEDICINAL CHEMISTRY
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2024
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IF 6.8
Xing-Yan Fu,Hao Yin,Xi-Tong Chen,Jing-Fang Yao,Yan-Nan Ma,Min Song,Huan Xu,Qian-Yao Yu,Shan-Shan Du,Yun-Kun Qi,Ke-Wei Wang
Oncolytic peptides represent promising novel candidates for anticancer treatments. In our efforts to develop oncolytic peptides possessing both high protease stability and durable anticancer efficiency, three rounds of optimization were conducted on the first-in-class oncolytic peptide LTX-315. The robust synthetic method, in vitro and in vivo anticancer activity, and anticancer mechanism were investigated. The D-type peptides represented by FXY-12 possessed significantly improved proteolytic stability and sustained anticancer efficiency. Strikingly, the novel hybrid peptide FXY-30, containing one FXY-12 and two camptothecin moieties, exhibited the most potent in vitro and in vivo anticancer activities. The mechanism explorations indicated that FXY-30 exhibited rapid membranolytic effects and induced severe DNA double-strand breaks to trigger cell apoptosis. Collectively, this study not only established robust strategies to improve the stability and anticancer potential of oncolytic peptides but also provided valuable references for the future development of D-type peptides-based hybrid anticancer chemotherapeutics.
研究领域:
癌症研究
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药物化学
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分子生物学
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高影响因子
PHYTOPATHOLOGY
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2025
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IF 3.1
Xiansu Wang,Chengyan Xia,Miss Dongxue Li,Miss Fenghua Liu,Jun Zhang,Miss Wenjing Xie,Dan Cheng,Libo Zhang,Zhuo Chen
Eugenol exhibits a broad spectrum of antimicrobial activities and fungicide efficacy against crop diseases. However, the antifungal mechanisms of eugenol remain incompletely understood. In this study, we assessed the inhibitory activity of eugenol against several phytopathogenic fungi, finding it to be particularly effective against Botrytis cinerea . The half-maximal effective concentration for inhibiting hyphal growth of B. cinerea was determined to be 72.11 µg/ml. Eugenol exhibited significant inhibition effect of 66.72 and 43.62% against gray mold on tomato fruit and leaves at the 1,500.0 µg/ml dose. Micromorphological analysis revealed that eugenol induced abnormalities in hyphal structures, including disrupted cell membranes and unclear organelle boundaries. Transcriptomic analysis indicated that differentially expressed genes in hyphae treated with eugenol were primarily enriched in processes related to lipid metabolism, transmembrane transport, and electron transfer activity. Molecular docking studies suggested that eugenol may bind to oleate delta-12 desaturase (FAD2) with a low free energy of −9.9 kcal/mol. Assays of cell membrane permeability and hyphal staining confirmed that eugenol disrupts the cell membrane, resulting in leakage of hyphal contents. Quantitative PCR assay showed that eugenol significantly altered the expression of genes involved in lipid metabolism. Compared to the wild type, fad2 mutant displayed slower hyphal growth rates and became less sensitive to the effects of eugenol. This study demonstrates that eugenol target FAD2, disrupt cell membrane integrity, thereby inhibiting the proliferation of B. cinerea . Several formulations of eugenol, including feneptamidoquin or meridianin C, exhibit stronger inhibitory effects, offering promising potential for the control of gray mold.
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JOURNAL OF FOOD ENGINEERING
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2026
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IF 5.8
Yan Li,Wanlinhao Wei,Yingying Sui,Olayemi Eyituoyo Dudu,Wentao Liu,Mingrui Zhang,Jinju Cheng,Yujun Jiang
s To investigate the effects of glycosylated covalent complexes and 12-hydroxystearic acid (12-HSA) on the properties of oleogel-structured high internal phase emulsions (OGHEs), this study prepared OGHEs with varying 12-HSA concentrations (0%, 1%, 3%, 5%, and 7%) using 1.5% sodium caseinate (SC) or conjugates of SC and carboxymethyl chitosan (SC-CMCS) as emulsifiers. A systematic evaluation was conducted on their droplet size, zeta potential, interfacial adsorbed protein content, rheological properties, stability, curcumin encapsulation efficiency, and in vitro digestion performance. Results showed that SC-CMCS-stabilized OGHEs exhibited significantly superior apparent viscosity and elastic modulus (with G' consistently greater than G'') compared to SC-stabilized OGHEs. The elastic modulus (G') reached its maximum at 7% 12-HSA, accompanied by a smaller initial droplet size (8.02 ± 0.17 μm) and more uniform distribution. Confocal laser scanning microscopy (CLSM) revealed a dual-stabilization structure consisting of oil droplets and a fibrous network, while differential scanning calorimetry (DSC) confirmed enhanced thermodynamic stability. Meanwhile, SC-CMCS-stabilized OGHEs with high 12-HSA concentrations demonstrated markedly improved thermal stability, freeze-thaw stability, and lipid oxidation stability. After 28 d of storage, their particle size increased only to 11.88 ± 0.79 μm, and the curcumin encapsulation efficiency significantly rose to 95.85 ± 0.31%, with a retention rate of 96.32 ± 0.38% after 12 d of storage. These results indicate that the synergistic interaction between SC-CMCS and 12-HSA comprehensively enhances the functionality of OGHEs, providing theoretical support for the development of carriers for active ingredients in functional foods.
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JOURNAL OF MOLECULAR STRUCTURE
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2026
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IF 4.9
Di-Ming Chen,Yu-Ting Shi,Xue-Jing Zhang,Shao-Ming Fang
A robust Al-MOF built from octanuclear [Al 8 (μ 2 -OH) 8 (COO) 12 ] clusters with oxygen-rich 1D channels has been prepared. • It exhibits a high C₂H₆ uptake of 147.6 cm 3 /g and an IAST selectivity of 1.69 for equimolar C 2 H 6 /C 2 H 4 at 298 K and 1 bar. • The separation potential (ΔQ = 1.42 mmol/g) outperforms many reported Al-MOFs, reflecting a balanced capacity–selectivity trade-off. • Combined GCMC, DFT, and MD simulations reveal that multiple C–H···O contacts and greater charge transfer govern the ethane preference. The separation of ethane (C 2 H 6 ) from ethylene (C 2 H 4 ) represents a critically important yet highly challenging process in the petrochemical industry, as these two hydrocarbons possess nearly identical molecular sizes and boiling points. In this work, we report the C 2 H 6 adsorption and separation performance of a three-dimensional aluminum-based metal–organic framework (Al-MOF) constructed from octanuclear aluminum clusters and a tricarboxylate linker, featuring one-dimensional channels decorated with abundant strongly electronegative oxygen atoms originating from coordinated formate groups and μ 3 -OH moieties. The presence of these electron-rich oxygen sites creates a polar pore environment that establishes multiple C–H···O short interactions with C 2 H 6 molecules, thereby imparting a distinct recognition preference toward the paraffin over the olefin. Upon activation, the material exhibits a C 2 H 6 adsorption capacity of 147.6 cm 3 /g at 298 K and 1 bar. The ideal adsorbed solution theory (IAST) selectivity for an C 2 H 6 /C 2 H 4 (10/90) mixture reaches 1.69 at 298 K and 1 bar. Furthermore, the separation potential (Δ Q ), which integrates both adsorption capacity and selectivity, is determined to be 1.42 mmol/g, indicating a well-balanced performance profile. The different adsorption performance of 1a toward C 2 H 6 /C 2 H 4 was thoroughly studied via a combination of GCMC, DFT and MD calculations, which demonstrates that deliberate introduction of electron-rich oxygen functionalities into the pore walls of Al-MOFs represents an effective strategy for enhancing ethane-selective adsorption, positioning the present material as a competitive candidate for energy-efficient ethylene purification. Graphical -Synopsis A robust Al-MOF with octanuclear clusters and oxygen-rich pore walls was synthesized for C 2 H 6 /C 2 H 4 separation. It exhibits preferential C₂H₆ adsorption (147.6 cm 3 /g at 298 K, 1 bar), an IAST selectivity of 1.69 for equimolar mixtures, and a separation potential of 1.42 mmol/g. Combined GCMC, DFT, and MD simulations reveal that stronger C–H···O hydrogen bonding and greater charge difference lead to a more favorable host–guest interaction energy (–1.34 vs. –1.27 eV) for ethane. This work demonstrates that engineering electronegative oxygen sites in Al-MOFs is an effective strategy for energy-efficient ethylene purification. Graphical -Pictogram Download: Download high-res image (322KB) Download: Download full-size image
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Materials Science and Engineering B-Advanced Functional Solid-State Materials
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2026
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IF 5.7
Zhiyang He,Zhengqi Zhu,Yanfeng Chen,Feng Xue,Shengui Ju
Silane coupling agent (KH570) was grafted onto Li 2 TiO 3 @GO via its -OH group. • The 12-crown-4 functional group serves as a side arm for the Li + imprinting agent. • H 2 TiO 3 @GO-CR was engineered and exhibited a bifunction Li + capture effect. To enhance lithium-ion adsorption performance, we designed a novel ion-sieve (denoted as H 2 TiO 3 @GO-CR) that synergistically combines the ion-imprinting effect with the intrinsic lithium capture capability of H 2 TiO 3 . This ion-imprinted monomer containing 12-crown-4-ether groups was fabricated through a two-step reaction involving ring-opening and self-condensation. The abundant -OH functional groups on graphene oxide (GO) served as a bridge to graft this monomer onto H 2 TiO 3 . The successful incorporation of the crown ether into the composite was proved by the FT-IR band at 553 cm −1 , and the Raman shift at 154.2 cm −1 . Owing to its unique dual-adsorption structure and functional groups, H 2 TiO 3 @GO-CR exhibited an excellent adsorption capacity of 39.87 mg·g −1 , with XPS analysis verifying an elevated surface hydroxyl (OH) content of 65.68%. In selectivity tests using simulated salt lake brine, the separation factors ( α Li Me) of H 2 TiO 3 @GO-CR for Li + against competing ions (Na + , K + , Ca 2+ , Mg 2+ ) all exceeded 80, demonstrating exceptional selectivity toward Li + . The α Li Mg = 295.0 shows high selectivity in salt lake brine, which is further substantiated by density functional theory (DFT) calculations of adsorption energies. This work brings a novel strategy for developing bifunctional lithium ion-sieves. Download: Download high-res image (265KB) Download: Download full-size image
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Chinese Herbal Medicines
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2026
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IF 11.2
Le Shi,Bo Zhou,Ming Hong,Shaozhong Wei,Changchun Liu,Yaxia Yuan,Sheng Hu,Pierre Duez,Mohammad Omar Faruque,Yuzhang Wei,Mohamed Shahin,Xiaohua Li,Yi Liu,Xuebo Hu
Objective To evaluate the therapeutic potential of 2,3 β ‑dihydroxy‑11‑oxo‑olean‑12‑en‑30‑oic acid (GA-03), a novel derivative of glycyrrhetinic acid (GA), against obesity and type 2 diabetes (T2D), and to elucidate its mechanisms in regulating leptin signaling and lipid metabolism, thereby providing new strategies for the optimization and development of similar bioactive components derived from traditional Chinese medicine. Methods A drug discovery strategy was devised, featuring a chemical backbone inspired by the scarce and toxic natural product, celastrol. By comparing 3-dimensional structural similarity and natural abundances, GA was selected as a viable mimic scaffold. For in vivo experiments, high-fat diet (HFD)-induced T2D mice, ob/ob mice, and db/db mice were treated with GA-03 to evaluate its effects on obesity, hyperglycemia, leptin sensitivity and other metabolic parameters. Glucose tolerance test (GTT) and insulin tolerance test (ITT) were performed to assess metabolic homeostasis. The molecular analyses such as hematoxylin and eosin (H&E) staining, Western blotting and quantitative real-time polymerase chain reaction (qRT-PCR) were employed to elucidate the molecular mechanisms underlying the observed effects of GA-03. Results GA-03 showed a moderate binding affinity to the Nur77 receptor. In T2D mice, GA-03 effectively reduced body weight, food intake, and blood glucose levels in a dose-dependent manner. GA-03′s appetite-suppressing effect was linked to the leptin signaling pathway, enhancing the effectiveness of leptin in reducing food intake and body weight without noticeable toxicity and ready availability. At doses ranging from 2 to 8 mg/kg, GA-03 conferred long-term stable regulation of body weight and blood glucose levels in HFD-induced T2D mice under identical animal intervention conditions. Conclusion These findings identify GA-03 as a promising therapeutic lead targeting obesity and hyperglycemia in T2D. The compound exerts its metabolic benefits via fine-tuning the leptin signaling pathway and rectifying disrupted lipid metabolism, highlighting the necessity of further investigation.
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Virtual and Physical Prototyping
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2023
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IF 10.6
Yanbei Hou,Ming Gao,Jiayao Chen,Wei Shian Tey,Mei Chen,Han Zheng,Boyuan Li,Lihua Zhao,Kun Zhou
Multi jet fusion (MJF), a powder-based additive manufacturing technology, is suitable for fabricating fibre-reinforced polymer composites. However, the types of reinforcement fibres applied in MJF are limited due to the incompatibility between the fibres and polymer. Herein, a simple and cost-effective surface modification method for Fe3O4-coated aramid fibres (Fe3O4@AF hybrids) is proposed to fabricate polyamide 12 (PA12) composites by MJF. The optimal fibre content for Fe3O4@AF/PA12 composites is 6 wt%, which resulted in 10.83% and 16.05% higher ultimate tensile strength and Young’s modulus, respectively, compared with AF/PA12. The addition of Fe3O4@AF hybrids also improved the flame retardancy of AF/PA12 by reducing the peak heat release rate (PHRR) and postponing the temperature at PHRR. This practical surface modification method can be potentially applied to other reinforcement fibres for fabricating functional polymer composites by other powder-based manufacturing technologies.
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MOLECULAR IMMUNOLOGY
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2018
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IF 3.188
Gang Chi,Xin-Xia Feng,Ying-Xia Ru,Ting Xiong,Yuan Gao,Han Wang,Zhen-Long Luo,Ran Mo,Fang Guo,Yong-Pei He,Gui-Mei Zhang,De-An Tian,Zuo-Hua Feng
Autoimmune hepatitis (AIH), a serious autoimmune liver disease, can be a lifelong illness, leading to fibrosis, cirrhosis, and hepatocellular carcinoma (HCC). So far the mechanisms for disease initiation are largely unknown. Here we report that the amplified non-AIH liver inflammation could promote the initiation of AIH due to the sustained increase of IL-6, IL-12, IL-4, and IL-25 in the liver. The liver injury resulting from virus (adenovirus) or chemicals (CCl 4 ) could induce an amplified (stronger/long-lasting) hepatic inflammation by releasing the ligands for TLR2/TLR4. The amplified inflammation resulted in the increase of multiple cytokines and chemokines in the liver. Among them, the sustained increase of IL-6/IL-12 resulted in the activation of STAT3 and STAT4 in hepatic CD4 + CD25 + Treg cells, thus suppressing Foxp3 gene expression to reduce the suppressive function of Treg cells in the liver, but not those in the spleen. The increase of IL-12 and the impairment of Treg function promoted Th1 response in presence of self-mimicking antigen (human CYP2D6). Intriguingly, the amplified inflammation resulted in the increase of IL-4 and IL-25 in the liver. The moderate increase of IL-4 was sufficient for cooperating with IL-25 to initiate Th2 response, but inefficient in suppressing Th1 response, favoring the initiation of autoimmune response. Consequently, either adenovirus/CYP2D6 or CCl 4 /CYP2D6 could induce the autoimmune response and AIH in the mice, leading to hepatic fibrosis. The findings in this study suggest that the amplified non-AIH inflammation in the liver could be a driving force for the initiation of autoimmune response and AIH.
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JOURNAL OF HETEROCYCLIC CHEMISTRY
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2014
·Vol. 51
·期 4
·1094-1099
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IF 0.873
Guangfan Han,Jiawei Du,Lizhuang Chen,Lijun Zhao
A series of 2-amino-7-methoxy-4-aryl-4 H -chromene-3-carbonitrile compounds 2 were obtained by condensation of 3-methoxyphenol with β-dicyanostyrenes 1 in absolute ethanol containing piperidine. The intermediate enamines 3 were prepared by compounds 2 with 5-substituted-1,3-cyclohexanedione using p -toluenesuflonic acid (TsOH) as catalyst. The title compounds 11-amino-3-methoxy-8-substituted-12-aryl-8,9-dihydro-7 H -chromeno[2,3- b ]quinolin-10(12 H )-one 4 were synthesized by cyclization of the intermediate enamines 3 in THF with K 2 CO 3 /Cu 2 Cl 2 as catalyst. The structures of all compounds were characterized by elemental analysis, IR, MS, and 1 H NMR spectra. The crystal structure of compound 4i was determined by single-crystal X-ray diffraction analysis.
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
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2013
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IF 2.206
Jiangfeng Yang,Junmin Li,Wei Wang,Libo Li,Jinping Li
Three hydrophobic microporous high-silica zeolites, DDR (with an 8-membered ring), silicalite-1 (a 10-membered ring), and beta (a 12-membered ring) were synthesized. The Si/Al ratios were 230, 1350, and 35, respectively. The samples were characterized by X-ray diffraction, scanning electron microscopy, thermal gravimetric analysis, water vapor adsorption, and volumetric nitrogen adsorption. They were tested for their CO2, CH4, and N2 adsorption properties at pressures of up to 10 bar at 288–313 K after activation, and the results were correlated with the Langmuir model. The heat of adsorption was calculated using the Clausius–Clapeyron equation based on the adsorption isotherms. These data were used to estimate the separation selectivities for CO2/CH4 and CH4/N2 binary mixtures at 298 K, using the ideal adsorbed solution theory (IAST) model. Experimental results showed that DDR and beta have good selectivities for CO2/CH4, because they have narrow pores (DDR) or more balance metal ions (relatively low Si/Al ratios beta) effect separately. The synthesized silicalite-1 has the lowest SCO2/CH4 but has the most suitable orifices for methane adsorption and the highest SCH4/N2. In addition, the breakthrough data for CH4/N2 mixtures further indicates that silicalite-1 is more suitable for the CH4 enrichment than the commercially used sorbents zeolite-5A and 13X. From the reproducibility of CH4 and N2 adsorption isotherms on silicalite-1, we can infer that which has the potential to be a commercial sorbent by the stable adsorption properties.
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ACS Applied Materials & Interfaces
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2024
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IF 8.3
Jing-Bo Yang,De-Zhong Xu,Zi-Han Zhang,Xi Zhang,Zhi-Xuan Ren,Zhong-Lin Lu,Rui Liu,Yang Liu
Maximizing drug cargo carrying capacity in blood circulation, controlling the in vivo fate of nanoparticles, and precisely drug release to tumor targets are the main aims of multifunctional nanomedicine-based antitumor therapy. Here we combined macrocyclic polyamine di(triazole-[12]aneN3) (M) and chemical drug camptothecin (CPT, C) through photosensitizer 1,1-dicyano-2-phenyl-2-(4-diphenylamino) phenyl-ethylene (DT) containing the cleavable disulfide (S) linkage as an all-in-one theranostic nanoprodrug, MDTSC. The corresponding compound with carbon chain (C) linkage, MDTCC, was also prepared for a comparison study. MDTSC showed the ability to carry plasmids, including the p53 tumor suppressor gene, to form lipoplexes with a size of ∼150 nm. Further addition of DOPE-PEG2k resulted in the hybrid lipoplexes MDTSC/DOPE-PEG2k@DNA, which showed good stability in blood circulation and good biocompatibility to normal cell lines. Experiments demonstrated that the hybrid lipoplexes were able to realize the successful cellular uptake and endosomal escape, to generate ROS under visible light irradiation as well as to trigger the localized release of CPT and the plasmid encoding p53 in tumor cells. In vitro, the hybrid lipoplexes showed better EGFP expression than the commercial Lipo2000, and markedly reduced tumor cell proliferation and migration rate irrespective of whether the BxPC-3 cell lines were grown on plates or 3D tumor spheroids. In vivo, the hybrid lipoplexes showed effective anticancer activity by reducing the BxPC-3 pancreatic tumor growth by 99% through the synergetic combination of chemotherapy, photodynamic therapy, and gene therapy. This research represented the first example of using a cocktail of three therapeutic approaches to achieve cooperative and effective anti pancreatic cancer treatment in vivo and in vitro.
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SEPARATION AND PURIFICATION TECHNOLOGY
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2024
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IF 8.1
Yi-Hong Wu,Wei Guo,Yu-Zhu Sun,Shu-Ying Sun
Coal-based solid waste, as a secondary resource, contains significant quantities of aluminum, silicon, and lithium resources. The desilication solution is a waste solution with low concentrations of lithium ions, which is produced during the resource utilization process of coal-based solid waste. Developing adsorbents with high lithium selectivity and alkaline stability is important for the recovery of lithium in coal-solid waste alkaline leachate. In this study, resin functionalized with 2-hydroxymethyl-12-crown-4 (2H12C4) is prepared by esterification. The reaction conditions, including resin type, reaction temperature, time, and catalyst dosage, are optimized. The selective adsorption of 2H12C4-D113 is evaluated in a simulated desilication solution. The results show that 2H12C4-D113 with high selectivity for Li + adsorption is successfully synthesized at 1 g of 2H12C4 per g of resin, 110 ℃ reaction temperature, 6 h reaction time, 0.5 g of catalyst per g of resin and 1 mol of anhydrous lithium chloride per mol of 2H12C4. The adsorption rate of the 2H12C4-D113 resin is relatively rapid, and its adsorption kinetics satisfy the proposed second-order kinetic curve, and its Li + adsorption capacity is greatly influenced by Li + concentration. The peaking adsorption capacity of this resin is 58.71 mg/g in pure lithium solution (Li + =200 mg/L) with high alkalinity, and the peaking adsorptive capacity is 9 mg/g in the pre-desilication solution (Li + =274 mg/L, Na + =101 g/L). Furthermore, density functional theory (DFT) is utilized to study the selective adsorption mechanisms, geometrical characteristics, and thermodynamic parameters of the complexes between crown ether and different ions. DFT simulation reveals that 2H12C4-D113 has high selectivity for Li + adsorption with a Li + -O bond length of 1.86–1.88 Å, and an adsorption energy of 2H12C4-Li + (−369 KJ/mol) being the highest among the mental ions.
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