INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
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2025
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IF 8.5
Wu Lijuan,Li Jiayin,Yang Yin,Ju Kaize,Jia Ziyao,Gao Biqiang,Jin Shiwei,Sun Qun,Wu Laiyan
This study investigated the interactions between pepsin (PEP) and the organophosphite antioxidant Irgafos 168 (I 168), its metabolite 2,4-di-tert-butylphenol (24DP), focusing on structural, functional, and antioxidant implications. UV–Vis absorption spectra, fluorescence lifetimes and Stern-Volmer quenching analyses show that I 168/24DP statically bursts PEP with high binding affinity. Thermodynamic parameters, molecular docking analyses and molecular dynamics simulations (e.g. RMSD, Rg) indicate that the spontaneous formation of the stable complexes is mainly driven by van der Waals forces and hydrophobic interactions. I 168 exhibited higher pepsin inhibition (6.97 %–27.51 %) than 24DP (5.04 %–19.29 %), with dose-dependent suppression linked to altered catalytic residue accessibility (e.g., Asp32/Asp215, Tyr75) and disrupted proton transfer efficiency. Structural analyses revealed I 168 increased PEP's flexibility and hydrophobic residue exposure, while 24DP enhanced rigidity and compactness. Antioxidant assays showed 24DP's superior DPPH scavenging capacity (9.45 %–47.35 %) compared to I 168 (2.28 %–8.00 %), though PEP significantly suppressed 24DP's antioxidant efficacy. These findings underscore the necessity of evaluating both parent compounds and metabolites in safety assessments, as metabolic processes retained biological impacts on enzymatic and antioxidant functions. The study provides critical insights into the molecular mechanisms of antioxidant-induced enzyme inhibition and highlights risks to digestive health and food safety.
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INORGANIC CHEMISTRY
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2018
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IF 4.7
Leyan Nian,Kui Wu,Guijie He,Zhihua Yang,Shilie Pan
In the exploration of new infrared nonlinear optical (IR NLO) materials, element substitution has been developed as an effective way to adjust the structural features and material performances. A series of new IR NLO materials have been discovered in the I–Ba–MIV–Q system (I = Li, Na, Cu, and Ag; MIV = Si, Ge, and Sn; Q = S and Se), and they undergo interesting structural transformation with different element substitution except Li analogues. Herein, we have successfully synthesized three selenides with different space groups (Ag2BaSiSe4: I4̅2m; Ag2BaGeSe4 and Ag2BaSnSe4: I222) in the above system and studied their properties through experimental and theoretical methods. Remarkably, the detailed analysis on the structural changes and properties comparison was also systematically investigated in the I–Ba–MIV–Q system and the results indicate that the distortion degrees of different IQ4 tetrahedra play the critical role to cause the structural transformation with the M or Q elements substitution. More importantly, we have also found that the structural changes have the close relationship with the distance d(I–I) between adjacent I cations in the I2BaSnSe4 system, which makes the four-membered rings formed by edge-sharing BaSe8 units change from the square to rhombus with the increase of d(I–I). The properties comparisons (band gap and NLO effect) in this system have been also systematically studied.
研究领域:
材料科学
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无机化学
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光学材料
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固态化学
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JOURNAL OF COORDINATION CHEMISTRY
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2021
·
IF 1.751
Yan Zhao,Xianying Duan,Guangguang Zhang,Meilin Wei
Two proton-conductive and luminescent organic-inorganic hybrid materials, {[Cu(II)(bhmbpy)(H2O)(Cl)0.5(CH3CN)]2[PW(VI)10W(V)2O39]}·4H2O(1) and {H2[Cu(I)(bhmbpy)2(Cl)Cu(I)(bhmbpy)2][PW12O40]}·7H2O (2) (where bhmbpy is bis(hydroxymethyl)-2,2′-bipyridine), were synthesized at room temperature. The two products were characterized by infrared spectroscopy, X-ray single-crystal diffraction, X-ray powder diffraction, elemental and thermogravimetric analyses. The proton conductivities and luminescence of 1 and 2 were studied by using alternating-current impedance spectroscopy and luminescence spectroscopy, respectively. X-ray diffraction analysis revealed that 1 includes a decorated polyanion chain {[Cu(II)(bhmbpy)(H2O)(Cl)0.5(CH3CN)]2[PW(VI)10W(V)2O39]}n and forms a three-dimensional network structure depending on short Cl…Cl contacts and hydrogen-bonding interactions. X-ray diffraction analysis revealed that 2 includes a butterfly-like bi-nuclear copper cluster unit with a Cl-bridge, [Cu(I)(bhmbpy)2(Cl)Cu(I)(bhmbpy)2]+, and forms a three-dimensional network structure depending on hydrogen-bonding interactions. [PW12O40]3– anions fill in the network based on hydrogen-bonding and electrostatic interactions. In them, the bhmbpy acts as a bidentate nitrogen donor ligand in the chelating fashion to coordinate with the Cu(II) center in 1 and the Cu(I) center in 2. The bhmbpy in 2 successfully constrains the Cu(I) within a rigid environment in a tetragonal-pyramidal geometry. The two compounds exhibit good proton conductivity (10−4 S·cm−1) at 100 °C in the relative humidity range 35–98%. Their luminescence behaviors in the solid state at room temperature have also been investigated. Upon excitation at 384 nm, 1 exhibits three emission peaks centered at 439, 507 and 566 nm. When excited at 364 nm, 2 displays three emission peaks centered at 443, 501 and 553 nm.
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Materials Science & Engineering C-Materials for Biological Applications
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2020
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IF 5.88
Dan Zhao,Zhixia Zhang,Xuemei Liu,Rui Zhang,Xincai Xiao
The preparation of long-wavelength emitting carbon dots (CDs) with good antibacterial function and biosensing ability through element doping method is the hotspot of present researches. This paper reports the rapid synthesis of nitrogen and phosphorus co-doped long wavelength-emitting CDs (N, P-CDs, λ em = 530 nm) under low reaction temperature (30 min, 60 °C). This method used glucose, polyethyleneimine and phosphoric acid as raw materials, and each raw material worked multi-functionally during the synthesis process. The impacts of raw materials and reaction parameters upon optical properties of prepared N, P-CDs have been studied, and the synthesis mechanism has been discussed. Meanwhile, N, P-CDs were used as antibacterial material with minimum inhibitory concentrations against Staphylococcus aureus and Escherichia coli at 7.5 μg·mL −1 and 0.5 mg·mL −1 respectively. The prepared CDs were also used to realize fluorescence imaging of S. aureus , and work as fluorescence probe to detect Sudan Red I with limit of detection at 43 nM.
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FOOD CHEMISTRY
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2019
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IF 5.399
Xiang-Xiu Chen,Zheng-Zhong Lin,Cheng-Yi Hong,Qiu-Hong Yao,Zhi-Yong Huang
A dichromatic label-free aptasensor was described for sulfadimethoxine (SDM) detection. Compared with the binding of SDM-aptamer to SDM, the higher affinity of aptamer to cDNA may result in the hybridization of dsDNA. In the presence of SDM, the aptamer specifically binds to SDM, leading to a blue color of AuNPs in deposit and fluorescence at 530 nm in supernatant after adding cDNA and SGI. With no target of SDM, AuNPs protected with the aptamer re-disperse in PBS with a red color, and no fluorescence occurs in supernatant. Based on the principle, SDM can be quantitatively detected through both fluorescent emission and AuNPs color changes with recoveries ranging from 99.2% to 102.0% for fish and from 99.5% to 100.5% for water samples. An analytical linear range of 2–300 ng mL −1 was achieved with the detection limits of 3.41 ng mL −1 for water and 4.41 ng g −1 for fish samples (3 σ , n = 9).
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TALANTA
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2020
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IF 5.339
Linyue Tang,Yaying Huang,Cuiying Lin,Bin Qiu,Longhua Guo,Fang Luo,Zhenyu Lin
The biosensors based on aptamer based stimuli-responsive hydrogels have the characters of high specificity, good stability, portability. Electronic balance is one of the most accurate equipment and can be reached nearly in all labs. Aflatoxin B 1 (AFB 1 ) is highly toxic and carcinogenic to humans and animals, it is necessary to develop simple and convenient detection method to apply in resource limited area. In this study, a novel strategy for quantitative detection of AFB 1 has been developed by combining the high selectivity and convenient of target-responsive hydrogel and the simple of using electronic balance as readout devices. The AFB 1 target responsive double crosslinked hydrogel has been constructed using linear hyaluronic acid grafted single-stranded DNA complex as the backbone, AFB 1 aptamer and polyethyleneimine as crosslinkers. And platinum nanoparticles (PtNPs) had been embedded in the hydrogel firstly. The present of AFB 1 can bind with the aptamer with high affinity and cause the releasing of aptamer from hydrogel. The addition of Exo I can specifically recognize and cleave the aptamer in AFB 1 -aptamer complex, resulting in the releasing of AFB 1 , which can react with the hydrogel again, thereby achieving the target cycle. By this means, the hydrogel will collapse and many pre-embedded PtNPs can be released. The transferring of the released PtNPs to a drainage device which contains H 2 O 2 can results in the increasing of the internal pressure since the production of oxygen through the catalytic decomposition of H 2 O 2 by PtNPs has low solubility. Which will cause the discharging of water from the system and this can be collected and weighed by an electronic balance easily. The weight of water has a linear relationship with AFB 1 concentration. Under 30 min catalytic time, the linear range is 31.2 μg/kg – 6.2 mg/kg with the detection limit of 9.4 μg/kg (S/N = 3). The proposed method was successfully applied to the detection of AFB 1 in peanut samples.
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Food Bioscience
·
2025
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IF 5.9
Wenyun Xiong,Yan Zhang,Lixia Guo,Shuai Zhao,Di Zhang,Zihuan Wu,Shengbao Cai
The novel peptide LADW has umami taste characteristic, while its health benefits and gastrointestinal stability have not been investigated. This study used in vitro and in silico experiments to investigate the effects and mechanisms of this peptide on angiotensin I-converting enzyme (ACE1) and vascular function, and its gastrointestinal stability was also evaluated by a simulated digestion. Results demonstrated that LADW exhibited a good inhibitory effect against ACE1, with an IC 50 value of 28.02 ± 1.52 μM. Kinetics, isothermal titration calorimetry, and thermal shift assay revealed that LADW competitively binds ACE1, with multi-site, entropy-driven interactions and slight conformational modulation. Molecular docking and molecular dynamics simulations showed that the LADW effectively bound to the active site of ACE1 mainly through hydrogen bonding and hydrophobic interactions, stabilized the conformation of ACE1, and reduced the fluctuation of the most active amino acid residues, such as Glu411, Ala354 and Glu384. Meanwhile, the LADW promoted the nitric oxide (NO) release and inhibited the endothelin-1 (ET-1) secretion. Further analysis showed that the LADW formed strong interactions with several key proteins in the regulation of NO and ET-1 release, namely endothelial nitric oxide synthase, endothelin-converting enzyme-1 and Furin. In addition, the LADW showed a good gastrointestinal stability after a simulated gastrointestinal digestion in vitro with a retention rate of 48.37 ± 3.00 %. The findings of this study may contribute to the elucidation of the potential benefits of the peptide LADW in reducing blood pressure and safeguarding the cardiovascular system, thereby offering a foundation for further research.
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ANALYTICA CHIMICA ACTA
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2021
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IF 6.558
Zhenxing Wang,Hongli Zhao,Kaicha Chen,Hongyuan Li,Minbo Lan
Signal amplification is crucial to improve the sensitivity for the electrochemical detection of cardiac troponin I (cTnI), one of the ideal biomarkers for early acute myocardial infarction (AMI) diagnosis. Herein, we developed a novel signal amplification strategy to construct a sandwich-type electrochemical aptasensor for the detection of cTnI. Core-shell [email protected] dendritic bimetallic nanoparticles loaded on melamine modified hollow mesoporous carbon spheres ( [email protected] DNs/NH 2 -HMCS) was prepared as labels to conjugate with thiol-modification DNA aptamers probe for signal amplification. While introducing numerous amino groups, the melamine functionalized hollow mesoporous carbon spheres (NH 2 -HMCS) retained the edge-plane-like defective sites for the adhesion and electrocatalytic reduction of H 2 O 2 . With the unique characteristics of NH 2 -HMCS, it not only enhanced the dispersity and loading capacity of core-shell [email protected] dendritic bimetallic nanoparticles ( [email protected] DNs), but also improved the stability of bonding by the affinity interaction between [email protected] DNs and amino groups of melamine. Meanwhile, the synergistic catalysis effect between [email protected] DNs and NH 2 -HMCS significantly enhanced the electrocatalytic reduction of H 2 O 2 and further amplified the signal. Under optimal conditions, this recommended aptasensor for cTnI detection displayed a wide dynamic range from 0.1 pg/mL to 100.0 ng/mL and a low detection limit of 15.4 fg/mL (S/N = 3). The sensor also successfully realized the analysis of cTnI-spiked human serum samples, meaning potential applications in AMI diagnosis.
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JOURNAL OF ORGANIC CHEMISTRY
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2020
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IF 4.335
Haiyun Peng,Yu Zhang,Yang Zhu,Guisheng Deng
We report the synthesis of 4-(furan-2-yl)-3,4-dihydro-2H-pyrrol-2-one derivatives. In this approach, two core structures, the furan ring and 3,4-dihydro-2H-pyrrol-2-one, are constructed via silver(I)-catalyzed cascade cyclization/cyclopropanation/ring-cleavage/nucleophilic substitution reaction of enynones with enamines. A reasonable mechanism has been proposed. This method possesses some advantages such as high chemoselectivity, mild reaction conditions, simple operation, and short reaction time.
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TETRAHEDRON
·
2014
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IF 2.817
Dazhuang Miao,Xuesong Shi,Guozhen He,Yao Tong,Zengqiang Jiang,Shiqing Han
N -(2-Chloro-phenyl)-2-halo-benzamides (halo=I/Br/Cl) as substrates were used for the one-pot synthesis of 2-arylbenzoxazole derivatives via copper-catalyzed intermolecular C–N/intramolecular C–O couplings with primary amines . This aryl amination offers clean reaction conditions and easy work-up in good yields by using CuI as catalyst, readily available 8-hydroxyquinoline as ligand, K 3 PO 4 as base, DMF as solvent.
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DALTON TRANSACTIONS
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2021
·Vol. 50
·期 33
·11555-11561
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IF 4.39
Jinhui Wang,Xinyuan Zhang,Fei Liang,Zhanggui Hu,Yicheng Wu
Birefringent crystals with strong anisotropy are important components in modern optical devices. The newly discovered planar π-conjugated cyanurate group (HxC3N3O3)x−3 (x = 0–3) has been demonstrated as an effective functional motif for improving birefringence in the ultraviolet region. Here, single co-crystals of alkali halide cyanurates, RbBr·(H3C3N3O3) (I), RbI·(H3C3N3O3) (II), and CsBr·(H3C3N3O3) (III) were synthesized by the ethanol solution method, and NaBr·(H3C3N3O3) (IV) was obtained via the solvent-drop grinding method. These four co-crystals feature a planar (H3C3N3O3) arrangement and exhibit wide band gaps (> 4.90 eV), tunable birefringence (Δnexp ∼ 0.124–0.256), and high thermal stability (156 °C–349 °C). In addition, first principles calculations were also carried out to evaluate the relationship between molecule density, spatial arrangement and optical birefringence, and suggested a great tailoring effect of the alkali metal and halogen species on regulating the optical anisotropy of co-crystal cyanurates.
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CARBOHYDRATE POLYMERS
·
2025
·
IF 12.5
Jinyan Gu,Mouming Zhao,Lijun You,Lianzhu Lin
Rhamnogalacturonan-I type pectin polysaccharide from wolfberry has immunity activity, but its intestinal immunity activity and structure-activity relationship in the small intestine was still unclear. This study comparatively investigated the intestinal immune activity of wolfberry-derived high and low branched Rhamnogalacturonan-I type pectin polysaccharides (H-LBP and L-LBP) and explored the interaction mechanism with mechanical barrier. In the normal mechanical barrier model, both H-LBP and L-LBP could cross mechanical barrier with transport rates of 23.2 % and 25 %, thereby directly enhancing macrophage viability and phagocytic ability after crossing the mechanical barrier. The transport mechanism of H-LBP in mechanical barrier included the clathrin- and caveolin-mediated pathways. In the damaged mechanical barrier model, H-LBP could significantly enhance mechanical barrier integrity, reduce the production of neurotransmitter (NO) and inflammatory cytokine (TNF-α), thereby exerting indirectly intestinal immune activity. Transcriptome analysis showed that the interaction mechanism between H-LBP and damaged mechanical barrier mainly involved signaling pathway regulating cell growth and survival (PI3K-AKT). Western blot experiment and molecular docking simulation confirmed that H-LBP could reduce the expression of p-PI3K, p-AKT and cleaved Caspase3. H-LBP had stronger directly and indirectly intestinal immune activity than L-LBP. These findings were useful for the application of H-LBP in improving intestinal immunity oral formulations.
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