Toxics
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2024
·Vol. 12
·期 1
·43
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IF 3.9
Mingguo Peng,Yang Xu,Yao Wu,Xuewen Cai,Weihua Zhang,Lu Zheng,Erdeng Du,Jiajun Fu
Per- and Polyfluoroalkyl Substances (PFAS) bioaccumulate in the human body, presenting potential health risks and cellular toxicity. Their transport mechanisms and interactions with tissues and the circulatory system require further investigation. This study investigates the interaction mechanisms of six PFAS with Human Serum Albumin (HSA) using multi-spectroscopy, DFT and a molecular dynamics approach. Multi-spectral analysis shows that perfluorononanoic acid (PFNA) has the best binding capabilities with HSA. The order of binding constants (298 K) is as follows: “Perfluorononanoic Acid (PFNA, 7.81 × 106L·mol−1) > Perfluoro-2,5-dimethyl-3,6-dioxanonanoic Acid (HFPO-TA, 3.70 × 106L·mol−1) > Perfluorooctanoic Acid (PFOA, 2.27 × 105L·mol−1) > Perfluoro-3,6,9-trioxadecanoic Acid (PFO3DA, 1.59 × 105L·mol−1) > Perfluoroheptanoic Acid (PFHpA, 4.53 × 103L·mol−1) > Dodecafluorosuberic Acid (DFSA, 1.52 × 103L·mol−1)”. Thermodynamic analysis suggests that PFNA and PFO3DA’s interactions with HSA are exothermic, driven primarily by hydrogen bonds or van der Waals interactions. PFHpA, DFSA, PFOA, and HFPO-TA’s interactions with HSA, on the other hand, are endothermic processes primarily driven by hydrophobic interactions. Competitive probe results show that the main HSA–PFAS binding site is in the HSA structure’s subdomain IIA. These findings are also consistent with the findings of molecular docking. Molecular dynamics simulation (MD) analysis further shows that the lowest binding energy (−38.83 kcal/mol) is fund in the HSA–PFNA complex, indicating that PFNA binds more readily with HSA. Energy decomposition analysis also indicates that van der Waals and electrostatic interactions are the main forces for the HSA–PFAS complexes. Correlation analysis reveals that DFT quantum chemical descriptors related to electrostatic distribution and characteristics like ESP and ALIE are more representative in characterizing HSA–PFAS binding. This study sheds light on the interactions between HSA and PFAS. It guides health risk assessments and control strategies against PFAS, serving as a critical starting point for further public health research.Keywords:human serum albumin (HSA);per- and polyfluoroalkyl substances (PFAS);multi-spectroscopy;DFT calculations;molecular docking;molecular dynamics simulation
研究领域:
生物化学
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环境科学
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毒理学
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PubMed
高影响因子
OPTICS COMMUNICATIONS
·
2026
·
IF 2.7
Xiangxu Wei,Jiamei Gu,Mingyu Li,Yuxia Song,Sai Jiang,Tuo Chen,Jian-Jun He
In modern biosensing systems, traditional sensing approaches face limitations such as high cost and bulky size. A V-cavity tunable laser (VCTL) with a quasi-continuous tuning range of 23 nm was realized by synchronously tuning the currents of two cavities. By connecting a Fabry-Perot Etalon (FPE) with four micro-ring resonators (MRRs) through a 1×4 coupler, an FPE cascaded MRR (FMRR) array was formed to generate the Vernier effect and enhance the sensing sensitivity. An optical switch is used to sequentially select the output signals from different sensing channels, enabling four-channel MRRs with only a single light source and a single detector. Experimental results show that, by monitoring the envelope peak shift in the transmission spectrum of the sensor array, a bulk refractive index (RI) sensitivity of 2881.48 nm/RIU is achieved, while the FMRR array exhibits human serum albumin (HSA) detection sensitivity of 2417.07 p.m./(μg·mL −1 ), confirming the potential of VCTL as low-cost interrogation sources for integrated optical sensing systems.
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高影响因子
JOURNAL OF FOOD ENGINEERING
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2026
·
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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高影响因子
Toxicology Research
·
2024
·Vol. 13
·期 3
·
IF 2.2
Jin Huiyun,Liu Yanping,Lei Yuandi,Li Guilan,Huang Lian,Zhang Zhaohui
BackgroundChronic beryllium disease is characterized by granulomas and pulmonary fibrosis. Recent studies have shown that microRNAs (miRNAs) and circular RNAs (circRNAs) play critical roles in the pathogenesis and development of many diseases. However, the role of miRNAs and circRNAs in pulmonary fibrosis induced by beryllium sulfate (BeSO4) has not been elucidated.MethodsPrevious studies demonstrated hsa-miR-663b was down-regulated in the 150 μmol/L BeSO4-treated 16HBE cells, while hsa_circ_ 0004214 was up-regulated. Here we found epithelial-mesenchymal transition (EMT) involved in pulmonary fibrosis induced by BeSO4 (4, 8, and 12 mg/kg·BW) in SD rats.ResultsElevated expression of hsa-miR-663b blocked the EMT progression of 16HBE cells induced by 150 μmol/L BeSO4. Notably, the overexpression of hsa-miR-663b decreased the expression of leukemia inhibitory factor (LIF), which was predicted as a target gene of hsa-miR-663b by bioinformatics tools. Furthermore, elevated miR-663b inhibited the activation of the downstream Janus kinase-signal transducers and activators of transcription (JAK-STAT) signaling pathway induced by BeSO4 in 16HBE cells. Previous study suggested that hsa_circ_0004214 had binding sites for hsa-miR-663b. The results indicated hsa_circ_0004214 alleviated the BeSO4-induced EMT via JAK-STAT pathway in 16HBE cells.ConclusionsCollectively, the overexpression of hsa-miR-663b and knockdown of hsa_circ_0004214 attenuated the EMT induced by BeSO4 through the inhibition of JAK-STAT signaling pathway. The aberrant expressed hsa-miR-663b and hsa_circ_0004214 stimulated by BeSO4 may exert an important function in the toxic mechanism of beryllium exposure to 16HBE cells, providing the potential therapeutic targets in chronic beryllium disease.
研究领域:
分子生物学
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毒理学
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肺科学
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基因组学
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PubMed
高影响因子
MOLECULES
·
2025
·Vol. 30
·期 16
·3436
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IF 4.6
Junsong Qin,Zhepeng Chen,Chuangyan Wang,Lin Mai,Xian Wang,Junfeng Li,Hui Liu,Yun Song
This study systematically explored the interaction mechanisms between two KRAS G12C inhibitors (Sotorasib and Adagrasib) and human serum albumin (HSA) via UV-vis spectroscopy, fluorescence spectroscopy, three-dimensional fluorescence spectroscopy, and molecular docking methods. The experimental findings demonstrated that both drugs caused static quenching of HSA fluorescence, with binding constants of 13.64 × 103M−1(Sotorasib) and 63.67 × 103M−1(Adagrasib), demonstrating significant selectivity differences in their binding affinities. UV spectral analysis demonstrated distinct microenvironmental perturbations: Sotorasib and Adagrasib induced a shift (∆λ = 7 nm and ∆λ = 8 nm, respectively) at 211 nm, consistent with altered polarity in HSA’s binding pockets. Fluorescence spectroscopy confirmed a 1:1 binding stoichiometry, with Stern-Volmer analysis validating static quenching as the dominant mechanism. Three-dimensional fluorescence spectra further highlighted Adagrasib’s stronger conformational impact, reducing tyrosine and tryptophan residue fluorescence intensities by 16% (Peak 1) and 10% (Peak 2), respectively, compared to Sotorasib. Molecular docking revealed divergent binding modes: Sotorasib occupied Sudlow Site I via three hydrogen bonds and hydrophobic interactions (∆G = −24.60 kJ·mol−1), whereas Adagrasib bound through one hydrogen bond and hydrophobic forces (∆G = −30.92 kJ·mol−1), with stability differences attributed to structural characteristics. This study uses multispectral technology and molecular docking to reveal the binding mechanism of Sotorasib and Adagrasib with HSA, providing a theoretical basis for designing highly targeted albumin nanocarriers. The strong binding properties of Adagrasib and HSA may reduce the toxicity of free drugs, providing direction for the development of long-acting formulations.
研究领域:
药理学
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生物化学
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分子生物学
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结构生物学
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药物递送系统
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癌症研究
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PubMed
高影响因子
CHEMICAL ENGINEERING JOURNAL
·
2024
·
IF 13.3
Yan Xu,Weitao Yang,Zhuoyao Wu,Hui Wang,Tianming Cui,Weiwei Zeng,Yanjing Yun,Bingbo Zhang
Effective monitoring of gastric fluid pH is crucial for diagnosing gastric diseases and evaluating anti-gastric-acid therapies. The invasiveness and low patient compliance with traditional gastric fluid aspiration methods highlight the need of a non-invasive, real-time technique for in situ gastric pH monitoring. This study introduces a novel chromium (Cr)-based magnetic resonance probe, Cr(OH) 3 @HSA, specifically designed for pH-sensitive gastric imaging. Synthesized via an albumin-mediated biomimetic mineralization process, Cr(OH) 3 @HSA possesses an amorphous structure that facilitates the sensitive release of paramagnetic Cr(III) ions in acidic environments. This release substantially decreases the longitudinal relaxation time of surrounding hydrogen protons, as demonstrated by an 18.29-fold increase in the longitudinal relaxation rate from pH 6.5 to pH 1.0. In vivo experiments show that Cr(OH) 3 @HSA accurately detects abnormal gastric pH levels and evaluates the efficacy of gastric antiacids, surpassing the performance of the conventional “always-on” contrast agent, Magnevist®. Notably, our research reveals that chromium picolinate, a common dietary supplement for diabetes, generates a “turn-on” signal in the gastrointestinal tract, suggesting potential MR signal interference in diabetic patients. Consequently, we recommend that diabetic patients avoid chromium-based dietary supplements prior to MRI procedures to prevent Cr(III)-induced signal alterations.
研究领域:
医学影像
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胃肠病学
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生物医学工程
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材料科学
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高影响因子
BIOCHEMICAL AND BIOPHYSICAL RESEARCH COMMUNICATIONS
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2021
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IF 3.575
Wenyu Chen
Excessive inflammation leads to periodontitis, which inhibits the osteogenic differentiation of human dental pulp stem cells (hDPSCs), irreversibly injured and difficultly repaired for the important dental pulp. Hence, it is necessary to study the functional gene to enhance the osteogenic differentiation of hDPSCs. Previous found that SNHG7 expression was increased in the osteogenic differentiation of hDPSCs. However, the regulatory functions of SNHG7 on osteogenic differentiation of hDPSCs in the inflammatory microenvironment still remains unknown. In this study, hDPSCs treatment with 50 ng/mL TNF-α to mimic the inflammatory microenvironment, then cultured in osteoblast differentiation medium for 14 days. SNHG7, miR-6512–3p, BSP , DSPP, DMP-1, RUNX2 and OPN in hDPSCs were detect by RT-qPCR. We found that SNHG7 expression was reduced during the osteogenic differentiation of hDPSCs after different concentrations TNF-α treatment. SNHG7 overexpression improved the TNF-α-induced suppression of calcium deposition, ALP activity, and the expression of BSP, DSPP, DMP-1, RUNX2 and OPN. Furthermore, SNHG7 can sponge with miR-6512–3p. miR-6512–3p expression was increased during the osteogenic differentiation of hDPSCs after different concentrations TNF-α treatment while inhibited after SNHG7 overexpression. knockdown of miR-6512–3p improved the TNF-α-induced suppression of calcium deposition, ALP activity, and the expression of BSP, DSPP, DMP-1, RUNX2 and OPN. Finally, miR-6512–3p overexpression reversed the effect of SNHG7 on the osteo/dentinogenic differentiation of TNF-α-treated hDPSCs. In conclusions, SNHG7 improves the osteogenic differentiation of hDPSCs by inhibiting miR-6512–3p expression under 50 ng/mL TNF-α-induced inflammatory environment, which provided potential targets for the treatment of periodontitis.
研究领域:
牙科学
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干细胞生物学
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分子生物学
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炎症研究
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PubMed
高影响因子
Pharmaceuticals
·
2025
·Vol. 18
·期 10
·1553
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IF 4.8
Xiao-Xuan Cai,Hua-Li Zuo,Jing Li,Hsi-Yuan Huang,Li-Ping Li,Jie Ni,Pei-Sen Wu,Xiao-Yuan Xu,Dan Zhang,Yue-Yang Xie,Hsien-Da Huang,Yang-Chi-Dung Lin
Background/Objectives:Glioblastoma (GBM), the most aggressive primary malignant brain tumor, has a dismal prognosis and limited treatment options. The dried rhizome ofLigusticum chuanxiongHort. (Chuanxiong, CX) is a traditional Chinese medicinal herb frequently prescribed in formulas intended to invigorate blood circulation. CX also exhibits anti-glioma activity, but its molecular mechanisms remain incompletely understood.Methods:In this study, we combined transcriptomics and Raman spectroscopy to investigate the effects of reconstituted CX-dispensing granules (hereafter referred to as CXG solution) on U87MG cells, suggesting their dual role in promoting cell death and modulating collagen deposition and lipid metabolism.Results:Mechanistically, we demonstrated that the CXG solution downregulates hsa-miR-10a-5p, which directly targets BCL2L11, known to induce pro-apoptotic effects, as validated by qPCR and dual-luciferase reporter assays. Furthermore, the CXG solution and hsa-miR-10a-5p suppress lipid metabolism through a coherent feed-forward loop via targeting transcription factors SREBF1 and E2F1. An electrophoretic mobility shift assay (EMSA) confirmed E2F1 binds to the hsa-miR-29a promoter, leading to the synergistic repression of hsa-miR-29a-3p by SREBF1 and E2F1. Network pharmacology analysis combined with molecular docking suggested that the ferulic acid and adenosine in CX potentially modulate EGFR-the E2F1-hsa-miR-10a-5p axis.Conclusions:These findings elucidate CX’s multi-target anti-GBM mechanisms and propose a novel therapeutic strategy combining metabolic intervention with miRNA-targeted therapy, providing novel insights into feed-forward loop regulation in miRNA networks.
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高影响因子
JOURNAL OF MATERIALS SCIENCE
·
2023
·Vol. 58
·期 21
·8952-8968
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IF 4.5
Qi Wenxia,Wang Shenglan,Yang Heng,Luo Tingting,Zhao Feng,Han Jingtian,Zhang Jing
Combination chemotherapy is a crucial therapeutic strategy to improve the therapeutic efficacy of breast cancer in clinic. When combined with photodynamic therapy (PDT), the therapeutic efficacy can be further enhanced not only by PDT-induced phototoxicity, but also by PDT-induced photochemical internalization which facilitates the intracellular delivery and endo/lysosomes escape of drugs, therefore exhibit considerable potential in clinical treatment of breast cancer. Herein, a novel cocktail therapeutic strategy based on albumin-based nanosystem was established by covalently modifying human serum albumin (HSA) with all-trans retinoic acid (RA) and chlorin e6 (Ce6) to form HSA-RA-Ce6 (HRC) conjugate, and using paclitaxel (PTX) to induce self-assembly of HRC to form HRC@PTX nanoparticles (HRC@PTX NPs). The HRC@PTX NPs could amplify the therapeutic efficacy of combination chemotherapy of RA and PTX with Ce6-mediated PDT. The HRC@PTX NPs were characterized with a mean particle size of 174.1 ± 2.1 nm and a slightly negative zeta potential and exhibited good stability and hemocompatibility. The HRC@PTX NPs could promote the cellular uptake of drugs by MCF-7 cells and MDA-MB-231 cells and produce ROS to amplify the synergistic anti-tumor efficacy. The in vitro inhibitory effects on tumor growth investigated on monolayer and three-dimensional tumor spheroids revealed that HRC@PTX NPs exhibited significantly higher anti-tumor activity when exposed to 660-nm laser. These results demonstrated that HRC@PTX NPs could be developed as a promising cocktail therapeutic strategy for synergistic breast cancer therapy. Graphical abstract
研究领域:
肿瘤学
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药学
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纳米技术
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癌症治疗
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高影响因子
FOOD CHEMISTRY
·
2022
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IF 9.231
Shengtao Zhang,Bin Li,Jieyu Zhou,Jiayi Shi,Zhongjing He,Yumin Zhao,Yan Li,Yehua Shen,Yongmin Zhang,Shaoping Wu
In this work, tea saponin (TS) which is indispensable in Camellia oleifera industry was used to synthesize a class of hydrophobic carbon dots (TS-CDs) with aggregation-induced emission (AIE) properties. A new fluorescent sensing platform based on AIE and non-modified TS-CDs for the detection of human serum albumin (HSA) and pH was developed, respectively. Interestingly, the developed platform is capable of ratiometric detecting extremely acidic pH in the range of 0.2–1.8 linearly (R 2 = 0.9959) due to protonation-deprotonation. Meanwhile, TS-CDs exhibited well stability toward HSA detection over a wide linear range (0–180 μM), long-term (48 h), and wide pH range (2–13). Furthermore, TS-CDs was utilized to localize to mitochondria and detect HSA in living cells, demonstrating its promising perspective in biosensing applications. This work may pave a novel avenue for high value-added utilization in the extraction process of extracting camellia oil for food woody oil.
研究领域:
生物化学
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材料科学
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医学检测
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高影响因子
JOURNAL OF MOLECULAR LIQUIDS
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2024
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IF 5.3
Yanqing Zhang,Lixia Yuan,Qiulu Wang,Xuejie Zhang,Yiyun Yang,Min Liu
The accumulation of advanced glycation end products (AGEs) generated from glycation reaction accelerates the development and deterioration of some diseases. Herein, the AGEs model of fructose-induced glycation of human serum albumin (HSA) was constructed and characterized. Both caffeic acid (CA) and dihydrocaffeic acid (DHCA) can inhibit the formation of AGEs, and the inhibitory effect of CA was more pronounced, as confirmed by fluorescence spectroscopy, gel electrophoresis, scanning electron microscopy, and carbonyl and thiol contents analysis. The binding of CA and DHCA to HSA was investigated by fluorescence spectroscopy and molecular docking. The primary inhibitory mechanism was the occupation of the glycation site LYS199 of HSA, and the more significant inhibitory effect of CA was related to its stronger binding affinity. Furthermore, the conformational changes caused by glycation and CA/DHCA binding were monitored using fluorescence, circular dichroism, and dynamic light scattering analysis. The results would help to elucidate the inhibitory mechanism of CA and DHCA on AGEs formation based on their different structures and inhibitory effects, and provide guidance for choosing natural inhibitors for diabetes.
研究领域:
生物化学
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药理学
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分子生物学
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高影响因子
DYES AND PIGMENTS
·
2024
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IF 4.1
Xue Liu,Shuang Qi,Jingyao Mao,Yuteng Zhang,Bin Dong,Bo Song,Lingling Ji
In this study, an amphiphilic organic fluorescent molecule (denoted by BCPB) was employed as a ratiometric fluorescent probe for the detection of human serum albumin (HSA). In an aqueous solution, the micellar assemblies of BCPB showed a strong excimer emission at 660 nm. The presence of HSA can induce the disassembly of BCPB aggregates and reassemble with HSA to form BCPB-HSA complexes, resulting in a ratio change in the fluorescence emission of BCPB at 540 nm (monomer) and 660 nm (aggregate). Accordingly, the fluorescence color also undergoes a visually recognizable change from red to green. As a ratiometric fluorescence probe of HSA, BCPB has a fast response (<5 s), low limit of detection (8.3 nmol L −1 , S / N = 3), good selectivity, and strong anti-interference ability. Finally, BCPB was loaded into the hydrogel to prepare a portable hydrogel kit, which successfully realized the in situ visual detection of HSA in an aqueous solution and human serum.
研究领域:
分析化学
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生物化学
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材料科学
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高影响因子
危险品化学品经营许可证（带存储）