Synthesis and characterization of anthocyanin-loaded bovine serum albumin nanoparticles: unveiling the encapsulation mechanisms with computational insights
文献类型： 外文期刊
作者： Zhao, Liang 1 ; Fan, Qian 1 ; Zhu, Zehui 1 ; Zhang, Mingxin 1 ; Zhou, Na 1 ; Pan, Fei 3 ; Wang, Ou 4 ; Zhao, Lei 1 ;
作者机构： 1.Beijing Technol & Business Univ, Key Lab Geriatr Nutr & Hlth, Minist Educ, Beijing 100048, Peoples R China
2.Beijing Technol & Business Univ, Beijing Engn & Technol Res Ctr Food Addit, Beijing, Peoples R China
3.Chinese Acad Agr Sci, Inst Apicultural Res, Beijing, Peoples R China
4.Chinese Ctr Dis Control & Prevent, Natl Inst Nutr & Hlth, Beijing 100050, Peoples R China
关键词： anthocyanins; bovine serum albumin; nanoparticles; molecular dynamics simulations
期刊名称：JOURNAL OF THE SCIENCE OF FOOD AND AGRICULTURE （ 影响因子：3.5； 五年影响因子：4.2 ）
ISSN： 0022-5142
年卷期： 2025 年 105 卷 9 期
页码：
收录情况： SCI
摘要： BACKGROUNDBlack rice anthocyanins (BRA) offer significant health benefits but are limited in application due to their low bioavailability. Bovine serum albumin (BSA) nanoparticles (NPs) have been shown to effectively enhance the stability of encapsulated BRA. However, the mechanism of BRA-BSA NP formation and their molecular interactions remain unclear. This study prepared and characterized BRA-BSA NPs and investigated the formation mechanisms using computational simulations.RESULTSThe optimized BRA-BSA NPs had a particle size of 128.37 +/- 4.10 nm, a zeta potential of -18.93 +/- 0.32 mV and an encapsulation efficiency of 81.10 +/- 0.08%. Characterization showed that the NPs were stabilized through hydrophobic interactions and hydrogen bonds. BRA-BSA NPs exhibited a slow release in the upper gastrointestinal tract. Molecular dynamics simulations, both all-atom and coarse-grained, revealed that anthocyanins bound to four primary sites on the BSA surface through hydrogen bonds and van der Waals forces. Furthermore, ethanol was shown to modulate the dissociation of amino acids, promoting BSA aggregation and self-assembly into NPs.CONCLUSIONThe results demonstrate that BSA NPs loaded with BRA serve as effective carriers with high encapsulation efficiency. Molecular dynamics simulations elucidated the molecular basis of cyanidin-3-O-glucoside-BSA interactions, as well as the self-assembly process of BSA. This study therefore provides valuable insights for developing BSA-based delivery systems for BRA, advancing the fields of bioactive encapsulation of nutraceuticals. (c) 2025 Society of Chemical Industry.
- 相关文献
作者其他论文 更多>>
-
Distinguishing the botanical origins of rare honey through untargeted metabolomics and machine learning interpreting flavonoid profiles
作者：Yan, Sha;Yuan, Yuzhe;Pan, Fei;Mu, Guodong;Xu, Haitao;Xue, Xiaofeng;Yan, Sha
关键词：Botanic origin; Flavonoids; Machine learning; Monofloral honey; Natural deep eutectic solvent; Untargeted metabolomics
-
A novel High-Affinity Anti-Capsaicinoids monoclonal antibody for High-Sensitivity Immunoassays: Experimental and computational validation
作者：Wen, Weihuan;Wang, Zhiruo;Zhao, Yupeng;Liu, Zhiwei;Liang, Yifan;Wang, Yupu;Xiong, Wanqi;Luo, Lin;Xu, Zhenlin;Wen, Weihuan;Li, Xinyu;Wang, Jiang;Talib, Hafiza Shaiza;Hu, Jie;Wang, Jiang;Pan, Fei;Li, Xinyu
关键词：Monoclonal antibody; Hybridoma; Capsaicinoids; Molecular docking; Molecular dynamics simulation; And immunoassay
-
Based on theoretical design simultaneous analysis of multiple neonicotinoid pesticides in beeswax by deep eutectic solvents extraction combined with UHPLC-MS/MS
作者：Mu, Guodong;Pan, Fei;Xu, Haitao;Xue, Xiaofeng;Yan, Sha;Jing, Xu
关键词：Beeswax; Neonicotinoid pesticides; Deep eutectic solvent; Conduct or-like screening model for real sol- vents; Molecular dynamics simulation; LC-MS/MS
-
Dietary Methionine Restriction Alleviates Cognitive Impairment in Alzheimer's Disease Mice via Sex-Dependent Modulation on Gut Microbiota and Tryptophan Metabolism: A Multiomics Analysis
作者：Zhang, Yuyu;Li, Yiju;Wang, Da;Pang, Jingxi;Sang, Haojie;Xi, Yujia;Liu, Zhigang;Liu, Tianqi;Shi, Lin;Pan, Fei;Li, Yiju;Liu, Zhigang
关键词：Alzheimer's disease; methionine restriction; sexual dimorphism; indole-3-propionic acid; peroxisome proliferator-activated receptor alpha; multiomics
-
Screening for Bongkrekic Acid in Food Using a Monoclonal Antibody-Based Indirect Competitive Enzyme-Linked Immunosorbent Assay (icELISA)
作者：Wu, Hui-Ling;Chen, Jing;Xia, Qi-Sheng;Zhang, Shi-Wei;Chen, Xue-Jian;Feng, Rong-Hu;Zhang, Gui-Hong;Lai, Xin-Tian;Pan, Fei;Liu, Lei;Tan, Pan
关键词：Bongkrekic acid; hapten; indirect competitive enzyme-linked immunosorbent assay (icELISA); isobongkrekic acid; monoclonal antibody
-
Highly cost-effective wheat starch-stearic acid complexes enabled by microwave processing: Structural properties, anti-digestion, and molecular dynamics simulation
作者：Gao, Tingting;Sun, Da-Wen;Tian, You;Ma, Ji;Gao, Tingting;Sun, Da-Wen;Tian, You;Ma, Ji;Gao, Tingting;Sun, Da-Wen;Tian, You;Ma, Ji;Gao, Tingting;Sun, Da-Wen;Tian, You;Ma, Ji;Sun, Da-Wen;Pan, Fei
关键词：Microwave; Starch-stearic acid complexes; Resistant starch; In vitro digestion; Molecular dynamics simulation
-
Decoding the quantitative structure-activity relationship and astringency formation mechanism of oxygenated aromatic compounds
作者：Zhang, Zhibin;Chen, Qiong;Guo, Tianyang;Song, Huanlu;Pan, Fei
关键词：Astringency; Oxygenated aromatic compounds; Quantitative structure-activity relationship; (QSAR); Machine learning; Molecular dynamics simulation
