Nano Research
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2023
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IF 9.9
Xing Chenyu,Chen Gaoyu,Zhu Xia,An Jiakun,Bao Jianchun,Wang Xuan,Zhou Xiuqing,Du Xiuli,Xu Xiangxing
Carbon dots (CDs) have wide application potentials in optoelectronic devices, biology, medicine, chemical sensors, and quantum techniques due to their excellent fluorescent properties. However, synthesis of CDs with controllable spectrum is challenging because of the diversity of the CD components and structures. In this report, machine learning (ML) algorithms were applied to help the synthesis of CDs with predictable photoluminescence (PL) under the excitation wavelengths of 365 and 532 nm. The combination of precursors was used as the variable. The PL peaks of the strongest intensity ( λ s ) and the longest wavelength ( λ l ) were used as target functions. Among six investigated ML models, the random forest (RF) model showed outstanding performance in the prediction of the PL peaks.
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DOI
高影响因子
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
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2022
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IF 8.025
Yong Deng,Ling-Xiao Chen,Bao-Jie Zhu,Jing Zhao,Shao-Ping Li
Polysaccharides exhibit multiple pharmacological activities, which are closely related to their structural characteristics. Therefore, quantitative quality control of polysaccharides based on chemical properties is of importance for their applications. However, polysaccharides are mixed macromolecular compounds that are difficult to separate, and the lack of standards made direct quantification more difficult. In this study, we proposed a new quantitative method based on the released specific oligosaccharides for polysaccharides from Lentinus edodes (shiitake) and other related fungi. Specific oligosaccharides were firstly released from polysaccharides using 1,3- β -glucanase, then derivatized with 2-aminobenzamide (2-AB), which further separated by hydrophilic interaction chromatography (HILIC) and quantitatively determined by UPLC coupled with fluorescence detector (FLR). Laminaritriose was used as the universal standard for quantification of all the oligosaccharides. This method was validated according to linearity, limit of detection, limit of quantitation, precision, accuracy, repeatability and stability. In addition, the four specific oligosaccharides released from polysaccharides in L. edodes were qualitatively analyzed by extracted ion chromatogram (EIC) from UPLC-MS profiles, which were identified to be disaccharide , trisaccharide and tetrasccharide. The proposed strategy not only realized the quantitative analysis of polysaccharides by UPLC-FLR, but also could achieve the qualitative distinction of different polysaccharides.
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DOI
PubMed
高影响因子
ANALYTICAL CHEMISTRY
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2020
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IF 6.785
Chuanfei Yu,Feng Zhang,Gangling Xu,Gang Wu,Wenbo Wang,Chunyu Liu,Zhihao Fu,Meng Li,Sha Guo,Xiaojuan Yu,Lan Wang
BVZ-BC (bevacizumab-biosimilar candidate) is a proposed biosimilar to bevacizumab. Bevacizumab binds to vascular endothelial growth factor (VEGF) type A and prevents the interaction of VEGF with its receptors on the surface of endothelial cells, neutralizing angiogenesis required for the growth, persistence, and metastases of solid tumors. An analytical comparison of BVZ-BC and bevacizumab was performed using state-of-the-art analytical techniques, including biochemical and biophysical characterization, biological activity, and immunological properties. Multiple attributes of the molecules were evaluated, including amino acid sequence, disulfide structure, glycan profiles, free thiol content, isoelectric point, protein content, subvisible particles, higher-order structure such as near- and far-ultraviolet circular dichroism and differential scanning calorimetry, product purity and product-related impurities, and process-related impurities. Biological activity assessment employed orthogonal assays such as the VEGF cell-based bioassay and the VEGF enzyme-linked immunosorbent assay, and Fc functional assays to interrogate all expected biological activities. An accumulation of 18 batches of bevacizumab (sourced in China, manufactured in Europe, Roche) and 10 batches of BVZ-BC representing unique drug product lots from each individual drug substance lot were utilized in this study. The analytical similarity between BVZ-BC and bevacizumab was assessed and demonstrated the similarities of all of the quality attributes between BVZ-BC and bevacizumab.
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PubMed
高影响因子
ACS Applied Materials & Interfaces
·
2024
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IF 8.3
Yanli Yang,Keke Guo,Yifei Liu,Min Xing,Maochun Zhu,Xue Bai,Ying Lu,Yingjie Hu,Shuxia Liu
Quinazolinone derivatives are an important class of pharmaceutical and pesticide intermediates, which are generally synthesized starting with the condensation reaction between aldehydes and 2-aminobenzamide to obtain corresponding intermediates and then oxidized to obtain the products. Although some catalysts have been developed currently for the synthesis of quinazolinone derivatives, their catalytic efficiency is relatively low because only the oxidative catalytic sites of the catalyst have been focused on. Herein, we synthesized three new polyoxometalate-based metal–organic frameworks, [CuI4(4,4′-bipy)7(Hn–1PMo12–nVnO40)]·2H2O (n = 1–3), which were formed by coordinating a Cu(I)-bipy complex with different Keggin-type phosphomolybdic acids. An important feature of these compounds is that they possess proton and multioxidative active sites [Cu(I) center and V(V) center]; thus, we applied them to the catalytic synthesis of quinazolinone derivatives. The results indicate that compound 3 has an excellent catalytic activity. Based on density functional theory calculations, it is speculated that protons participate in the aldehyde amine condensation reaction, which changes the reaction pathway and reduces the activation energy from 55.1 to 31.4 kcal/mol, thereby increasing the reaction rate significantly. Interestingly, Raman spectra and electron paramagnetic resonance measurements indicate the presence of CuIIOO• and •O2– during the oxidative dehydrogenation process, which facilitates the rapid consumption of 2-phenyl-2,3-dihydroquinazolin-4(1H)-one intermediates, thereby promoting the chemical reaction to move toward the positive direction. Thanks to the synergistic effect of multicatalytic sites, compound 3 achieved highly efficient catalytic synthesis of quinazolinones with 99% yield in 1 h.
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PubMed
高影响因子
CHROMATOGRAPHIA
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2025
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IF 1.3
Lou Doudou,Zhu Yuan,Fan Jingke,Fan Lin,Zhu Qingfu,Lu Yihong,Zhao Shuqiang
N-glycosylation heterogeneity has a significant impact on the clinical safety, efficacy, pharmacokinetics (PK), and pharmacodynamics of monoclonal antibody (mAb) drugs, thus becoming a critical quality attribute (CQA) of great concern. In the registration quality standards for bevacizumab produced by different manufacturers, either lacking supervision of N-glycosylation or the detection methods and criteria vary greatly among manufacturers, leading to compromised comparability of results. Besides, the existing quality control system pays insufficient attention to the correlation between glyco-relevant physicochemical properties and glycosylated modification. In this study, a standardized hydrophilic interaction liquid chromatography-fluorescence detection (HILIC-FLD) N-glycan profiling method was developed, which had been proven to be more time-saving and easier to operate and was used for the parallel analysis of N-glycan profiles in bevacizumab products provided by 8 different manufacturers. We also paid attention to the glycosylation-related CQAs including charge heterogeneity, isoelectric point, non-glycosylated heavy chain (NGHC) and aggregates. Results revealed obvious difference in N-glycosylation, NGHC and aggregates among manufacturers. Among all the mAbs, the abundance of major glycoforms showed similar order yet the percentage of the same glycoform varies greatly. In summary, the standardized method could offer a reliable, efficient and practical approach for the parallel analysis and comparison of glycosylation and related CQA heterogeneity among manufacturers, providing a reference for more effective quality control of mAb drugs.
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高影响因子
JOURNAL OF CHROMATOGRAPHY B-ANALYTICAL TECHNOLOGIES IN THE BIOMEDICAL AND LIFE SCIENCES
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2025
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IF 2.8
Doudou Lou,Jingke Fan,Lin Fan,Yang Song,Jinlin Zhang
N-glycosylation of monoclonal antibodies (mAbs) critically affects their efficacy, stability, and immunogenicity, necessitating efficient and sensitive glycan analysis. Hydrophilic Interaction Liquid Chromatography with Fluorescence Detection (HILIC-FLD) is widely used for antibody N-glycan profiling and glycosylation heterogeneity control due to its high sensitivity and strong applicability, primarily by cleaving N-glycans from antibodies with PNGase F followed by liquid chromatography or coupled mass spectrometry (MS) analysis. Conventional PNGase F digestion protocols often require protein denaturation before digestion and overnight incubation, which may cause the preparation process cumbersome, time-consuming and toxic. To address these limitations, we developed a rapid, non-denaturing enzymatic cleavage method by selecting an appropriate buffer system and regulating the pH of the reaction system for mAbs. The method requires only a single-step digestion and enhances enzyme access to N-glycans by modulating antibody conformation and surface charge through pH adjustment, enabling efficient cleavage. This method achieves N-glycan release within 20 min—48 times faster than conventional overnight digestion—while eliminating toxic denaturants, delivering superior performance in time efficiency, operational simplicity, safety, and environmental friendliness. Validation with trastuzumab (IgG1) and sintilimab (IgG4) showed nearly identical N-glycan profiles to conventional methods, retaining chromatographic properties and yielding comparable FA2 peak areas and glycoform abundances. MS revealed consistent glycoform profiles between methods (27 vs. 25 glycoforms in optimized vs. conventional), with strong abundance correlation. These results demonstrate that the method is not only applicable to multi-sample scenarios but also fully MS compatible, offering a robust tool for biopharmaceutical development, batch consistency assessments, and biomarker discovery in glycobiology research.
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PubMed
高影响因子
CRYSTAL GROWTH & DESIGN
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2024
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IF 3.2
Detao Li,Wenqian Chen,Limin Zhou,Li Xu,Feiqiang He,Jerry Y Y Heng,Hamza Shehzad,Jinbo Ouyang
Understanding drug cocrystal formation and its competitive mechanism is important for improving the physicochemical properties of drugs. In this article, the cocrystal formation of polyhydroxy natural products and their competitive mechanisms are discussed through experimental screening and theoretical calculations. The formation conditions and types of cocrystals were determined based on efficient screening experiments of polyhydroxy natural product cocrystals. To investigate the difficulty and stability of cocrystal formation, competitive cocrystal experiments of polyhydroxy natural products were carried out simultaneously. By simulation of the electrostatic potential surface of molecules and the Hirshfeld surface of crystals, the mode of hydrogen bonding within the crystals was determined. The strength of hydrogen bonding was assessed based on the intermolecular interactions and energy framework within the crystal structure. A “substitution model” was constructed based on experimental results and theoretical calculations, which is of great significance for the prediction and design of natural product cocrystals and provides a feasible solution for improving the physicochemical properties of drugs.
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高影响因子
危险品化学品经营许可证（带存储）