Journal of Chemistry
·
2025
·Vol. 2025
·期 1
·7113993
·
IF 2.6
Danwen Qiu,Komal Hayat,Yuanyuan Wang,Konstantinos Douroudis,Md. Imtaiyaz Hassan,Faez Iqbal Khan,Magdalini Matziari
Human immunodeficiency virus (HIV) remains a significant health issue with no vaccine available. Targeting the HIV-1 protease (HIV-1 PR) is essential in treatment, with inhibitors like lopinavir being historically an important component. However, lopinavir alone has low bioavailability and causes side effects when combined with ritonavir, leading to efforts to develop improved analogs. In this study, we designed and synthesized a phosphinic analog of lopinavir, PL1, by replacing its hydroxyethylene moiety with a phosphinic group. The inhibitory evaluation demonstrated a promising inhibition potency of PL1 against HIV-1 PR, supported by molecular dynamics simulations predicting its favorable interactions. Integrating AI-based docking tools confirmed PL1’s strong potential, with an IC 50 /EC 50 of 1.32 × 10 −8 mol/L and a binding affinity of 6.142, surpassing lopinavir’s 5.928. PL1’s binding efficacy index of 0.0119, comparable to lopinavir’s 0.0132, indicates efficient inhibition. Importantly, PL1 is less toxic than lopinavir, making it a promising lead molecule for HIV-1 PR targeting.
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COMBUSTION AND FLAME
·
2025
·
IF 6.2
Zhongkai Liu,Mengqi Wu,Zhaohan Chu,Xiaoqing Wu,Jiabin Huang,Jiuzhong Yang,Bin Yang,Feng Zhang
In this work, we conducted a combined experimental and theoretical investigation into the reactivity of naphthylmethyl radical (1-A2CH 2 , C 11 H 9 ) with allene (aC 3 H 4 ) and propyne (pC 3 H 4 ). Co-pyrolysis experiments of 1-(chloromethyl)naphthalene (1-A2CH 2 Cl) with aC 3 H 4 or pC 3 H 4 were studied using a flash pyrolysis microreactor coupled with synchrotron vacuum ultraviolet photoionization mass spectrometry. Significant signals at m/z = 39 (C 3 H 3 ), attributed to the rapid H-abstraction and/or pyrolysis of C 3 H 4 molecules, were detected in both experiments, indicating concurrent radical-radical (1-A2CH 2 + C 3 H 3 ) and radical-molecule (1-A2CH 2 + aC 3 H 4 /pC 3 H 4 ) reactions. Theoretical calculations reveal that the radical-radical reaction is kinetically favored under experimental conditions compared to the radical-molecule reaction, dominantly forming two C 14 H 12 adducts, 1-(1,2-butadiene-4-yl)naphthalene (1-W1) and 1-(but‑yn-3-yl)naphthalene (1-W2), along with minor amounts of other C 14 H 12 isomers and C 14 H 11 + H products. The computed rate coefficients and branching ratios of various reaction channels expand the analysis to broader temperature and pressure ranges. The radical-radical products (1-W1 and 1-W2) dominate at atmospheric-to-high pressures (>1 atm) or relatively lower temperatures (<1500 K). At higher temperatures and low pressures, competition arises between radical-radical and radical-molecule pathways. Furthermore, the structures of bimolecular products differ significantly between the 1-A2CH 2 + aC 3 H 4 and 1-A2CH 2 + pC 3 H 4 reaction systems, with implications for the formation of larger polycyclic aromatic hydrocarbons.
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ANALYST
·
2019
·Vol. 144
·期 9
·3072-3079
·
IF 4.019
Yuhuan Wang,Ruyan Wang,Lei Wang,Licheng Wang,Yong Guo,Xiaojing Liang,Shuai Wang
Au nanoparticle-hybridized silica (Au@sil) spheres were synthesized in one step as a liquid chromatographic stationary phase for the first time. The hybridized stationary phase showed good separation performances in reversed-phase liquid chromatography (RPLC) and hydrophilic interaction liquid chromatography even without bonding with any organic groups. Compared with the bare silica stationary phase, the Au@sil stationary phase showed better separation performance under the same conditions in RPLC and HILIC modes. The effects of acetonitrile content, buffer concentration, and the pH of the mobile phase on analyte retention were further investigated. The results showed that the Au@sil stationary phase had a complex retention mechanism of electrostatic and partitioning interactions. By comparing Au solution (solAu) with different proportion volumes in silica sol, the optimum hybridized stationary phase was found to comprise 33 vol% solAu. Au@sil was further modified with 1-octadecanethiol by self-assembly and used to separate alkylbenzenes and polycyclic aromatic hydrocarbons by RPLC. The separation efficiency of the 1-octadecanethiol self-assembled modified Au@sil (C18-Au@sil) column was much better than that of Au@sil. Overall, the successful hybridization of Au nanoparticles provided a new method to prepare a stationary phase in a simple and environmentally friendly way.
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高影响因子
American Journal of Translational Research
·
2021
·Vol. 13
·期 4
·2111-2126
·
IF 4.06
Chao Shi,Chongwen Shen,Ge Liu,Shaofeng Yang,Fenglin Ye,Jinjin Meng,Youmin Pan
Purpose To clarify the regulatory effect of Nuclear-enriched abundant transcript 1 (NEAT1) on abdominal aortic aneurysm (AAA) model rats and isolated endothelial progenitor cells (EPCs). Methods The AAA rat model was established by CaCl 2 stimulation, and overexpressed NEAT1 was injected into rats through tail vein. Abdominal aorta lesions and numbers of EPCs in tissues and peripheral blood were examined by hematoxylin-eosin, immunofluorescence and flow cytometry. The extracted EPCs were identified by microscopy, DiI-ac-LDL staining and flow cytometry. Effect of overexpressed/silencing NEAT1 on the viability, migration, tube formation and VEGF content of EPCs was investigated by MTT-, wound-healing, tube formation assays and ELISA, respectively. The expressions of NEAT1, miR-204-5p, Angiopoietin-1 (Ang-1)/ERK pathway were determined by qRT-PCR and Western blot as needed. The targeting relationships between NEAT1 and miR-204-5p, and miR-204-5p and Ang-1 were predicted on starBase, TargetScan and confirmed by dual-luciferase experiments. The mutual regulation effect was studied through rescue experiments. Results Overexpressed NEAT1 not only reduced inflammatory infiltration and increased the number of EPCs in abdominal aorta and peripheral blood, but also promoted the viability, migration, tube formation of EPCs, increased VEGF content and upregulated the expression of the Ang-1/ERK pathway in EPCs. However, silencing NEAT1 produced opposite results. NEAT1 targeting miR-204-5p inhibited the functional effects of miR-204-5p on of EPCs. Overexpressed/silencing Ang-1 partially reversed the effects of NEAT1 or miR-204-5p on the characteristics of EPCs. Conclusion NEAT1 competitively binds with miR-204-5p and up-regulates Ang-1 expression in EPCs to effectively improve the proliferation, migration and angiogenesis of EPCs.
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INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
·
2022
·
IF 8.025
Zhiwen Ge,Xuan Bao,Zhiyu Li,Xiaohong Chen,Wei Li,Xin Rui,Junjun Wu,Qiuqin Zhang,Mingsheng Dong
In order to study the mechanism of high viscosity of Sayram ketteki yoghurt, the growth, acidification properties, in situ exopolysaccharides (EPS) production of Lactobacillus helveticus MB2-1 in milk medium were investigated. The microstructure of the yoghurt was analyzed. The characteristics of in situ EPS produced by this strain in yoghurt were studied by high-performance liquid chromatography (HPLC), Fourier-transform infrared spectroscopy (FT-IR), ultraviolet-visible (UV–vis) analysis. The amount of in situ EPS produced could be up to 689.47 mg/L. The micrographs of Sayram ketteki yoghurt demonstrated that the in situ EPS secreted by ropy L. helveticus MB2-1 were closely connected with proteins, effectively filling the three-dimensional network structure of casein clusters, thereby resulting in high viscosity of yoghurt. Besides, the molecular weight of in situ EPS was 9.34 × 10 4 Da, and the in situ EPS was determined to be a new heteropolysaccharide, containing fucose, which made it unique. Moreover, the set yoghurts added with in situ EPS were demonstrated fine effects on the texture improvement. These results illustrated that L. helveticus MB2-1 could be set as a good starter and the in situ EPS could be considered as a probiotic stabilizer substitute for fermented dairy products.
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Journal of Pharmaceutical Analysis
·
2022
·
IF 14.026
Liang Qi,Jiayun Zhang,Ying Gao,Pin Gong,Chengyuan Liang,Yao Su,Qiao Zeng,Yafeng Zhang
The regulator of expression of virion (Rev) protein binds specifically to the Rev-responsive element (RRE) RNA in order to regulate the expression of the human immunodeficiency virus (HIV)-1 genes. Fluorescence indicator displacement assays have been used to identify ligands that can inhibit the Rev–RRE interaction; however, the small fluorescence indicators cannot fully replace the Rev peptide or protein. As a result, a single rhodamine B labeled Rev (RB-Rev) model peptide was utilized in this study to develop a direct and efficient Rev–RRE inhibitor screening model. Due to photon-induced electron transfer quenching of the tryptophan residue on the RB fluorophore, the fluorescence of RB in Rev was weakened and could be dramatically reactivated by interaction with RRE RNA in ammonium acetate buffer (approximately six times). The interaction could reduce the electron transfer between tryptophan and RB, and RRE could also increase RB fluorescence. The inhibitor screening model was evaluated using three known positive Rev–RRE inhibitors, namely, proflavin, 6-chloro-9-[3-(2-chloroethylamino)propylamino]-2-methoxyacridine (ICR 191), and neomycin, as well as a negative drug, arginine. With the addition of the positive drugs, the fluorescence of the Rev–RRE decreased, indicating the displacement of RB-Rev. This was confirmed using atomic force microscopy (AFM) and the fluorescence was essentially unaffected by the addition of arginine. The results demonstrated that RB-Rev can be used as a fluorescent probe for recognizing small ligands that target RRE RNA. The Rev–RRE inhibitor screening model offers a novel approach to evaluating and identifying long-acting Rev inhibitors.
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BIOORGANIC CHEMISTRY
·
2020
·
IF 4.831
Qing-Zhu Fan,Ji Zhou,Yi-Bao Zhu,Lian-Jun He,Dong-Dong Miao,Sheng-Peng Zhang,Xiao-Ping Liu,Chao Zhang
Targeting the Trp-Kyn pathway is an attractive approach for cancer immunotherapy. Thioredoxin reductase (TrxR) enzymes are reactive oxygen species (ROS) modulators that are involved in the tumor cell growth and survival processes. The 4-phenylimidazole scaffold is well-established as useful for indoleamine 2,3-dioxygenase 1 (IDO1) inhibition, while piperlongumine (PL) and its derivatives have been reported to be inhibitors of TrxR. To take advantage of both immunotherapy and TrxR inhibition, we designed a first-generation dual IDO1 and TrxR inhibitor ( ZC0101 ) using the structural combination of 4-phenylimidazole and PL scaffolds. ZC0101 exhibited better dual inhibition against IDO1 and TrxR in vitro and in cell enzyme assays than the uncombined forms of 4-phenylimidazole and PL. It also showed antiproliferative activity in various cancer cell lines, and a selective killing effect between normal and cancer cells. Furthermore, ZC0101 effectively induced apoptosis and ROS accumulation in cancer cells. Knockdown of TrxR1 and IDO1 expression induced cellular enzyme inhibition and ROS accumulation effects during ZC0101 treatment, but only reduced TrxR1 expression was able to improve ZC0101 ′s antiproliferation effect. This proof-of-concept study provides a novel strategy for cancer treatment. ZC0101 represents a promising lead compound for the development of novel antitumor agents that can also be used as a valuable probe to clarify the relationships and mechanisms of cancer immunotherapy and ROS modulators.
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ENZYME AND MICROBIAL TECHNOLOGY
·
2012
·
IF 2.367
Jing-Yun Wang,Cui-Li Ma,Yong-Ming Bao,Pin-San Xu
Lipase from Burkholderia cepacia was encapsulated inside zirconia particles by biomimetic mineralization of K 2 ZrF 6 induced with protamine, a natural cationic protein. Scanning electron microscopy (SEM), transmission electron microscopy (TEM), and Fourier transform infrared spectroscopy (FT-IR) were employed for the characterization of the novel immobilized lipase. SEM and TEM images showed that both the zirconia particles with and without lipase have good spherical structures with average particle sizes of 150 nm. Fluorescence microscopy demonstrated that the lipase was indeed encapsulated inside the zirconia particles. The maximum immobilization capacity of the zirconia particles was 0.15 units/mg under optimum immobilization conditions. Biochemical characterization showed that the encapsulated lipase could retain most of its initial activity. Compared with free lipase, the encapsulated lipase exhibited improved thermal, pH, and recycling stabilities. After 8 weeks of storage, no substantial loss in catalytic activity was observed for the encapsulated lipase. The conversion of the kinetic resolution of ( R,S )-1-phenylethanol with vinyl acetate as acetyl donor catalyzed by zirconia-immobilized lipase reached 49.9% with higher ee s of 99.9% under the following optimal conditions: octane as solvent, 0.1 M ( R,S )-1-phenylethanol, 70 mg immobilized lipase, 180 rpm, 50 °C for 48 h. After 6 cycles (288 h), the conversion and ee s were still 43% and 85%, respectively.
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MICROPOROUS AND MESOPOROUS MATERIALS
·
2025
·
IF 4.7
Tao Wang,Chao Xiao,Qiao Yu,Zhilin Chen,Shuming Peng
Development of a stable catalyst resistant to steam-induced sintering (10 vol%−15 vol% H 2 O, 450–550 °C) is challenging for catalytic combustion/oxidation of methane. We use the silicalite-1's internal defects to trap PdO clusters to construct a stable catalyst (PdO/silicalite-1). Silicalite-1 with sufficient amounts of silanol defects and ion exchange at alkaline condition are critical for this defect-trapping strategy. PdO/silicalite-1 shows long-term super-stability with respect to the temperatures and steam concentrations. The conversion remained stable over 200 h at 500 °C (10 vol% H 2 O) and declined slightly during 380 h at 550 °C (10 vol% H 2 O). PdO/silicalite-1's catalytic activity deteriorated slightly after hydrothermal aging at 750 °C or thermal aging at 850 °C. Electron microscopy reveals two growth modes for PdO clusters within silicalite-1 (PdO in ) and on the external surface (PdO surf ). PdO surf clusters agglomerate into PdO particles of 5–15 nm directly, but PdO in clusters first fuse into strip-shaped PdO in clusters, then migrate outwards and further agglomerate into PdO nanoparticles .
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CERAMICS INTERNATIONAL
·
2025
·Vol. 51
·期 23
·38875-38883
·
IF 5.6
Tauqeer Ahmad,Wen Lei,Daniel Q. Tan,Burhan Ullah,Yiyang Cai,Yaodong Liu,Wen-zhong Lu
The phase stability and dielectric behavior of the (1- x )(Sr 0 . 6 Na 0 . 2 La 0 . 2 Ti 0 . 9 Al 0 . 05 Nb 0 . 05 O 3 )- x NdAlO 3 ceramic system (0.0 ≤ x ≤ 0.5) were systematically studied and optimized through tailored ionic substitution and a conventional single-step solid-state synthesis route. This strategy enabled synergistic enhancement by modifying lattice distortions and phonon dynamics, improving microwave performance of dielectric resonator antennas for potential applications in the C-band frequency range. X-ray diffraction confirmed a stable tetragonal (P4/mmm) phase for 0.0 ≤ x ≤ 0.5, with no secondary phases detected. Rietveld refinement and HRTEM validated solid solution formation , revealing lattice contraction and unit cell volume reduction with increasing x . Raman spectroscopy highlighted phonon modifications due to ionic substitutions. The microwave dielectric properties varied systematically, with ε r decreasing from 215 at x = 0.0 to 36.2 at x = 0.5 due to reduced ionic polarizability . The quality factor (Q × f) reached a maximum of 37,037 GHz at x = 0.4 due to increased atomic packing and minimized phonon scattering. The thermal coefficient of resonance frequency (τ f ) was adjusted from 256 ppm/°C (at x = 0.0) to −12 ppm/°C (at x = 0.5), achieving enhanced thermal stability. The tetragonal phase at x = 0.4 demonstrated outstanding microwave dielectric characteristics, featuring an εr of approximately 42, a Q × f value reaching 37,037 GHz, and a τ f of around −5 ppm/°C. These insights establish a clear structure-property relationship, paving the way for the development of high-performance microwave resonators.
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PROCESS BIOCHEMISTRY
·
2021
·
IF 3.757
Huabiao Miao,Rui Jiang,Nanyu Han,Yu Ma,Qian Wu,Yuelin Mu,Zunxi Huang
Amylases have been widely applied for starch saccharification in the food, paper, pharmaceutical, and textile industries. In the present study, α-amylase DL-3-4−1 from B. amyloliquefaciens was successfully expressed in B. subtilis. The enzymatic activity exhibited high stability in a pH range from 4.0 to 11.0 and moderate thermostability. Furthermore, excellent stability was observed when incubated with metal ions, detergents, inhibitors, and organic solvents. Resistance against ethanol, urea, and guanidine−HCl was also observed. More importantly, a strategy to enhance the extracellular expression of α-amylase DL-3-4−1 was developed using 173 Sec-type signal peptides (SPs) as a library based on a fast and sequence-independent method. Fourteen SPs were identified with significantly increased yields of DL-3-4−1 via a high-throughput assay. Specifically, the enzymatic activity of the α-amylase-producing strain containing the signal peptide SP5D10 (YomL) was 3.74-fold higher than that of the strain with the wild type signal peptide (87.30 U/OD). In brief, the maximum specific activity of an α-amylase-producing strain containing the YomL signal peptide was 326.45 U/OD. This is the first report of an α-amylase that exhibits ethanol, urea, and guanidine−HCl tolerance. Hence, this α-amylase represents a promising candidate for future use in industry.
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COLLOIDS AND SURFACES B-BIOINTERFACES
·
2025
·
IF 5.6
Feng Lin,Hong Huang,Jie Long,Renchuan Liang,Yunxi Huang,Xiaoling Luo
Cancer remains a major global health burden due to its high rates of recurrence and resistance to conventional therapies. Although PD-L1/PD-1 immune checkpoint inhibitors (ICIs) have emerged as promising treatments by restoring T cell function and enhancing anti-tumor immunity, their efficacy is often limited by immunosuppressive tumor microenvironment (ITM) and metabolic adaptations that impair T cell activity. To address these challenges, we developed a novel intelligent drug delivery platform that integrates PANoptosis induction, metabolic modulation and targeted nanotherapy. Specifically, hollow mesoporous manganese dioxide (H-MnO 2 ) nanoshells were synthesized and co-loaded with SOAT1 inhibitor avasimibe (Ava). Trop2-specific targeting ligands were further conjugated to enable precise tumor localization, resulting in the multifunctional nanoplatform Ava@HM/Trop2. Upon tumor accumulation via Trop2-mediated targeting, acidic pH conditions and TME stimuli trigger rapid degradation of the H-MnO 2 nanoshells, releasing Ava and inducing PANoptosis. This process activates the cGAS-STING pathway, remodels immunosuppressive TME, mitigates lipid-induced T cell senescence, and synergizes with PD-1 blockade to potentiate anti-tumor immunity. Both in vitro and in vivo experiments demonstrate that Ava@HM/Trop2 achieves efficient tumor targeting, robust tumor cell apoptosis, and improved therapeutic outcomes. This innovative multi-modal strategy highlights a promising avenue for overcoming immunotherapy resistance and advancing the clinical management of solid tumors.
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