Dimethylaminoethyl Methacrylate/Diethylene Glycol Dimethacrylate Grafted onto Folate-Esterified Bagasse Xylan/Andrographolide Composite Nanoderivative: Synthesis, Molecular Docking and Biological Activity DOI Creative Commons
Yue Su, Shufen Zhang, He‐Ping Li

et al.

Molecules, Journal Year: 2022, Volume and Issue: 27(18), P. 5970 - 5970

Published: Sept. 14, 2022

As a biocompatible biomaterial, bagasse xylan (BX) has been widely used in the biomedical field. The low biological activity of andrographolide (AD) restricts its development, so AD with certain anticancer is introduced. We use chemical modification methods such as grafting and esterification to improve make novel nanomaterial. On basis mixture BX folic acid (FA), nanoderivative xylan/andrographolide folate-g-dimethylaminoethyl methacrylate (DMAEMA)/diethylene glycol dimethacrylate (DEGDMA) nanoparticles (FA-BX/AD-g-DMAEMA/DEGDMA NPs) was synthesized by introducing DMAEMA DEGDMA monomers through graft copolymerization nanoprecipitation method. effects reaction temperature, time, initiator concentration mass ratio FA-BX/AD mixed on rate (GR) were investigated. structure obtained product characterized FTIR, SEM, XRD DTG. Further, molecular docking MTT assays performed understand possible sites target proteins product. results showed that GR 79% under conditions 55 mmol/L, m (FA-BX/AD):m (mixed monomer) = 1:2, temperature 50 °C time 5 h. inhibition FA-BX/AD-g-DMAEMA/DEGDMA NPs human lung cancer cells (NCI-H460) can reach 39.77 ± 5.62%, which about 7.6 times higher than BX. Therefore, this material may have potential applications development drug or carriers functional materials.

Language: Английский

Hot-Melt Extrusion: from Theory to Application in Pharmaceutical Formulation—Where Are We Now? DOI Creative Commons

Hemlata Patil,

Sateesh Kumar Vemula, Sagar Narala

et al.

AAPS PharmSciTech, Journal Year: 2024, Volume and Issue: 25(2)

Published: Feb. 14, 2024

Abstract Hot-melt extrusion (HME) is a globally recognized, robust, effective technology that enhances the bioavailability of poorly soluble active pharmaceutical ingredients and offers an efficient continuous manufacturing process. The twin-screw extruder (TSE) extremely resourceful customizable mixer used for compounding granulation by using different combinations conveying elements, kneading elements (forward reverse configuration), distributive mixing elements. TSE thus efficiently utilized dry, wet, or melt not only to manufacture dosage forms such as tablets, capsules, granule-filled sachets, but also designing novel formulations dry powder inhalers, drying units granules, nanoextrusion, 3D printing, complexation, amorphous solid dispersions. Over past decades, combined academic industry collaborations have driven innovations HME technology, which has resulted in substantial increase published articles patents. This article summarizes challenges models executing scale-up. Additionally, it covers benefits manufacturing, process analytical (PAT) considerations, regulatory requirements. In summary, this well-designed review builds upon our earlier publication, probing deeper into potential extruders various new applications. Graphical

Language: Английский

Citations

28

Molecular dynamics simulation techniques and their application to aroma compounds/cyclodextrin inclusion complexes: A review DOI Open Access
Xingran Kou, Dongdong Su, Fei Pan

et al.

Carbohydrate Polymers, Journal Year: 2023, Volume and Issue: 324, P. 121524 - 121524

Published: Oct. 31, 2023

Language: Английский

Citations

27

Application of sodium sulfobutylether-β-cyclodextrin based on encapsulation DOI Creative Commons
Jiaqi Huang, Xiaofeng Wang, Ting Huang

et al.

Carbohydrate Polymers, Journal Year: 2024, Volume and Issue: 333, P. 121985 - 121985

Published: Feb. 24, 2024

Sodium Sulfobutylether-β-cyclodextrin (SBE-β-CD) is a derivative of β-cyclodextrin, characterized by its stereo structure, which closely resembles truncated cone with hydrophobic internal cavity. The solubility insoluble substances within the cavity significantly enhanced, reducing contact between guest and environment. Consequently, SBE-β-CD frequently employed as co-solvent stabilizer. As research progresses, it has been observed that inclusion reversible competitive. Besides, some complexes undergo distinct physicochemical property alterations compared to guests. Additionally, certain guests exhibit varying inclusions at different concentrations. These features have contributed expanding applications. finds widespread application in pharmaceutics protective agent pKa regulator, pharmaceutical analysis chiral substance separator, biomedical engineering for encapsulating dyes modifying sensors. article will elaborate detail on properties SBE-β-CD, encapsulation principles, factors influencing formation complexes. Furthermore, review focuses through pharmaceutics, analysis, engineering. Finally, prospects potential applications are discussed.

Language: Английский

Citations

10

Supramolecular chemistry in cyclodextrin inclusion complexes: the formation rules of terpenes/β-cyclodextrin inclusion complexes DOI
Xingran Kou, Xiwei Xu, Nan Gao

et al.

Food Hydrocolloids, Journal Year: 2024, Volume and Issue: 157, P. 110441 - 110441

Published: July 19, 2024

Language: Английский

Citations

8

Inclusion of diuron, neburon, and linuron into β-CD a multi-equilibrium GFN2-xTB study DOI Creative Commons

Gleicy Teixeira,

Carolina Lúcia Cardoso Ribeiro,

P. Ramos

et al.

Journal of Inclusion Phenomena and Macrocyclic Chemistry, Journal Year: 2025, Volume and Issue: unknown

Published: Jan. 20, 2025

Language: Английский

Citations

1

Improving the freeze-thaw stability of fish myofibrils and myofibrillar protein gels: Current methods and future perspectives DOI
Xiao Feng, Xi Yu, Yuling Yang

et al.

Food Hydrocolloids, Journal Year: 2023, Volume and Issue: 144, P. 109041 - 109041

Published: July 7, 2023

Language: Английский

Citations

18

Computational Chemistry Strategies to Investigate the Antioxidant Activity of Flavonoids—An Overview DOI Creative Commons
Yue Wang, Chujie Li, Zhengwen Li

et al.

Molecules, Journal Year: 2024, Volume and Issue: 29(11), P. 2627 - 2627

Published: June 3, 2024

Despite several decades of research, the beneficial effect flavonoids on health is still enigmatic. Here, we focus antioxidant flavonoids, which elementary to their biological activity. A relatively new strategy for obtaining a more accurate understanding this leverage computational chemistry. This review systematically presents various chemistry indicators employed over past five years investigate activity flavonoids. We categorize these strategies into aspects: electronic structure analysis, thermodynamic kinetic interaction and bioavailability analysis. The principles, characteristics, limitations methods are discussed, along with current trends.

Language: Английский

Citations

6

A Review of Machine Learning and QSAR/QSPR Predictions for Complexes of Organic Molecules with Cyclodextrins DOI Creative Commons
Dariusz Boczar, Katarzyna Michalska

Molecules, Journal Year: 2024, Volume and Issue: 29(13), P. 3159 - 3159

Published: July 2, 2024

Cyclodextrins are macrocyclic rings composed of glucose residues. Due to their remarkable structural properties, they can form host–guest inclusion complexes, which is why frequently used in the pharmaceutical, cosmetic, and food industries, as well environmental analytical chemistry. This review presents reports from 2011 2023 on quantitative structure–activity/property relationship (QSAR/QSPR) approach, primarily employed predict thermodynamic stability complexes. article extensively discusses significant developments related size available experimental data, sets descriptors, machine learning (ML) algorithms used, such support vector machines, random forests, artificial neural networks, gradient boosting. As QSAR/QPR analysis only requires molecular structures guests values constants, this approach may be particularly useful for predicting these complexes with randomly substituted cyclodextrins, estimating dependence pH. work proposes solutions how effectively use knowledge, especially important researchers who will deal topic future. also other applications ML relation CD including prediction physicochemical properties development methods based complexation CDs, optimisation conditions preparation

Language: Английский

Citations

5

A review on application of molecular simulation technology in food molecules interaction DOI Creative Commons
Yan Wang, Tianjiao Liu,

Jinhui Xie

et al.

Current Research in Food Science, Journal Year: 2022, Volume and Issue: 5, P. 1873 - 1881

Published: Jan. 1, 2022

Molecular simulation is a new technology to analyze the interaction between molecules. This review mainly summarizes application of molecular in food industry. has been employed assess structural changes biomolecules, components, and mechanism physical chemical property alterations. These conclusions provide deeper understanding foods, break through limitations scientific experiments avoid blind time-consuming research. In this paper, advantages development trends research field are described. methodology can be used contribute further studies interactions food, confirm experimental results ideas for sciences.

Language: Английский

Citations

20

Chlorpropamide-cyclodextrin inclusion complexes, theoretical basis of stability DOI
Sara E. Pérez-Figueroa,

Emir A. Galván-García,

Didier Nivón-Ramírez

et al.

Journal of Molecular Liquids, Journal Year: 2024, Volume and Issue: 396, P. 123995 - 123995

Published: Jan. 7, 2024

Language: Английский

Citations

4