Article
Environmental Sciences
Muhammad Usman Akram, Naseem Abbas, Muhammad Farman, Suryyia Manzoor, Muhammad Imran Khan, Sameh M. Osman, Rafael Luque, Abdallah Shanableh
Summary: A therapeutic system is designed to release drugs at specific target tissues without damaging healthy cells, by using chitosan-based polymeric nanoparticles containing N-isopropyl acrylamide and 2-(di -isopropyl amino) ethyl methacrylate.
Article
Engineering, Multidisciplinary
Riwang Li, Yuhui Zhang, Zhen Lin, Qiqi Lei, Yi Liu, Xinyang Li, Mingxian Liu, Gang Wu, Simin Luo, Huajun Wang, Xiaofei Zheng, Lihua Li, Ningjian Ao, Zhengang Zha
Summary: Injectable biocompatible thiolated chitosan (CSSH) hydrogel with pH-response was designed for accurate treatment of tumor cells and tissue reconstruction. Modified halloysite nanotubes (HNTs) improved the mechanical strength of hydrogels and slow the release of doxorubicin (DOX). The drug-loaded gel effectively inhibited tumor growth and recurrence, and repaired defect tissue after tumor resection.
COMPOSITES PART B-ENGINEERING
(2021)
Article
Polymer Science
Meiyan Wu, Wangfang Deng, Yidong Zhang, Chao Chen, Zhexuan Liu, Pedram Fatehi, Bin Li
Summary: In this study, cellulose nanofibrils and chitosan composite beads were prepared using a simple and efficient method and exhibited large surface area, uniform pores, strong mechanical properties, and water resistance. These beads showed high efficiency in drug encapsulation and controlled release under acidic conditions.
Article
Medicine, Research & Experimental
Carolina Henriques Cavalcante, Renata Salgado Fernandes, Juliana de Oliveira Silva, Caroline Mari Ramos Oda, Elaine Amaral Leite, Geovanni Dantas Cassali, Ives Charlie-Silva, Bianca Helena Ventura Fernandes, Lucas Antonio Miranda Ferreira, Andre Luis Branco de Barros
Summary: The developed pH-sensitive micelles encapsulating DOX showed promising results with small diameter, high stability, low toxicity, and significantly better inhibition of tumor growth compared to other forms of DOX.
BIOMEDICINE & PHARMACOTHERAPY
(2021)
Article
Medicine, Research & Experimental
Pawel Wolski
Summary: The research investigated the combined effect of the amount of oxygen-containing groups on the carbon quantum dot surface and the pH level on the interaction mechanism between an anticancer drug and a carrier. The study found that the strength of interaction between CQDs and DOX increases with surface coverage and pH, with electrostatic interactions playing a significant role in drug loading. Molecular dynamics simulations provided a microscopic view of DOX loading and release on/from CQDs, which is crucial for the development of advanced CQD-based targeted drug delivery systems.
MOLECULAR PHARMACEUTICS
(2021)
Article
Biochemistry & Molecular Biology
Haibin Zhang, Zhiyang Gu, Wenya Li, Lili Guo, Litong Wang, Lan Guo, Saibo Ma, Baoqin Han, Jing Chang
Summary: Oral drug delivery is the most preferred mode of treatment due to its convenience and non-invasiveness. However, delivering protein drugs orally has been a challenge. This study developed a novel OCMC/SA nanohydrogel that solves this problem, with high drug loading capacity and passive drug targeting function.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2022)
Article
Biology
Shirin Mollazadeh, Mostafa Yazdimamaghani, Rezvan Yazdian-Robati, Somayeh Pirhadi
Summary: This study used molecular dynamics simulations to compare the opening of 3-fold and 4-fold pores in APO-Fr under acidic conditions. The results showed that the 3-fold pores had more hydrophilic residues on their surface, leading to increased flexibility and easier opening. The drug Doxorubicin mainly interacted with hydrophilic residues on the APO-Fr surface through hydrogen bonds, making it difficult for hydrophobic drugs to load into APO-Fr during the partial disassembly process. However, interactions between the protein and Doxorubicin through hydrogen bonds and π-π interactions facilitated the penetration of Doxorubicin into APO-Fr via the open pores. Therefore, increasing the disassembly of openings can enhance the encapsulation capacity and facilitate the loading of hydrophobic drugs into the internal cavity of APO-Fr.
COMPUTERS IN BIOLOGY AND MEDICINE
(2022)
Article
Chemistry, Physical
Zohre Hasanzade, Heidar Raissi, Hassan Hashemzadeh
Summary: This study investigates the adsorption and release of the anticancer drug doxorubicin (DOX) on two bio-compatible zeolitic imidazolate frameworks (ZIFs), ZIF7 and ZIF8, using molecular dynamics (MD) simulation. The diffusion of the system into the cell membrane (POPC) is also examined. The results show that ZIF7 is more favorable for DOX adsorption due to its strong binding with the drug. The low diffusion coefficient values suggest that both ZIFs can be potential candidates for controlled release of DOX. Moreover, the study reveals that DOX remains bound to ZIFs in its neutral state but is readily released in acidic conditions. Additionally, the behavior of the DOX-ZIF7 system near the cell membrane is studied, indicating that ZIF7 can deliver the drug to the top of the lipid bilayer.
JOURNAL OF MOLECULAR LIQUIDS
(2023)
Article
Biochemistry & Molecular Biology
Wei-Hsiang Hsu, Chien-Liang Ku, You-Ren Lai, Steven S. -S. Wang, Shiu-Huey Chou, Ta-Hsien Lin
Summary: This study aimed to develop DOXO-coupled glycated BSA nanoparticles and improve their targeting capability towards GLUT5 transporters over-expressed on breast cancer cells. The synthesized nanoparticles had a spherical shape with a hydrodynamic diameter of approximately 60.74 nm and a zeta-potential of approximately -42.20 mV. Furthermore, the DOXO-coupled glycated BSA nanoparticles exhibited cytotoxicity towards both MCF-7 and MDA-MB-231 cells. Overall, this research demonstrates the potential of drug-coupled glycated BSA nanoparticles as a targeted drug delivery platform for breast cancer therapy. Rating: 9/10.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2023)
Article
Medicine, Research & Experimental
Samara Bonesso dos Reis, Juliana de Oliveira Silva, Fernanda Garcia-Fossa, Elaine Amaral Leite, Angelo Malachias, Gwenaelle Pound-Lana, Vanessa Carla Furtado Mosqueira, Monica Cristina Oliveira, Andre Luis Branco de Barros, Marcelo Bispo de Jesus
Summary: pH-sensitive liposomes showed fast accumulation and intracellular release of doxorubicin in tumor cells, leading to apoptosis. The cytotoxicity of pH-sensitive liposomes can be enhanced by chloroquine and E64d.
BIOMEDICINE & PHARMACOTHERAPY
(2021)
Article
Chemistry, Physical
Zhiqiang Zhao, Zheng Bian, Yu Chen, Zhigang Xie, Chuanqing Kang, Lianxun Gao, Guangshan Zhu
Summary: The study demonstrates that chiral oligo(methylene-p-phenyleneethynylene)s with alternating hydrophilic and hydrophobic side chains can self-assemble into vesicular particles independently of solvent polarity, and remain stably dispersed in different solvents. These particles can be easily transferred from organic to aqueous phases via dialysis and show a noticeable response to the acidity of the aqueous phase, serving as simple cargos for loading various molecules.
Article
Pharmacology & Pharmacy
Ahmed M. Omer, Maha S. Ahmed, Gehan M. El-Subruiti, Randa E. Khalifa, Abdelazeem S. Eltaweil
Summary: Alg-CMCs@AmCs dual polyelectrolyte complexes were successfully employed as a pH-sensitive drug carrier for efficient encapsulation and release of diclofenac sodium. The developed microcapsules showed excellent stability and high encapsulation efficiency under colonic conditions, suggesting great potential for practical applications.
Article
Chemistry, Physical
Tengfang Zhang, Ziqi Wu, Huafeng Zhu, Zhikun Wang, Shuangqing Sun, Songqing Hu
Summary: In this study, chitosan was modified with PNIPAM to enhance its surface activity and temperature response. The CS-PNIPAM emulsion showed excellent emulsification performance in various oil phases. The addition of salt ions improved the stability of the emulsion. pH and temperature also affected the stability of the emulsion, with low pH causing emulsion breakage and high temperature leading to emulsion aggregation and breakage.
COLLOIDS AND SURFACES A-PHYSICOCHEMICAL AND ENGINEERING ASPECTS
(2023)
Article
Chemistry, Physical
Xiaodan Jiang, Dongqing Zhang, Ruixue Sun, Huachun Wang, Yuyao Yang, Hongda Guo, Yuanzheng Tang
Summary: The study introduces Sr-substituted hydroxyapatite (Sr-HAp) hollow microspheres prepared through a simple hydrothermal method, with high drug loading efficiency and excellent biocompatibility. These microspheres have a high specific surface area and potential applications in drug delivery systems.
APPLIED SURFACE SCIENCE
(2021)
Article
Biochemistry & Molecular Biology
Isabel Lado-Tourino, Arisbel Cerpa-Naranjo
Summary: pH-sensitive lipids can be incorporated into lipid nanoparticles for specific drug delivery in acidic microenvironments. This study used coarse-grained molecular dynamic simulations to investigate the stability of neutral and charged lipid bilayers containing POPC and ISUCA-derived lipids under different pH conditions. The results show that ISUCA-derived lipids disrupt the lipid bilayer structure, particularly under acidic conditions, and these findings could contribute to the development of pH-sensitive liposomes.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2023)
Article
Chemistry, Multidisciplinary
Zhe Kong, Pengzhen Zhang, Jiangxing Chen, Hanxing Zhou, Xuanchao Ma, Hongbo Wang, Jia-Wei Shen, Li-Jun Liang
Summary: The study demonstrates that GQDs of different shapes can translocate through lipid membranes within nanoseconds and tend to stabilize in the middle of the cell membrane. Additionally, GQDs do not induce notable damage to the cell membrane, indicating their potential as biomedical materials.
Article
Chemistry, Physical
Jiachen Li, Hao Chen, Shenxin Liu, Zhengzhong Kang, Lisha Yu, Lijun Liang, Jia-Wei Shen, Yingchun Liu, Jie Fan, Qi Wang
Summary: The study shows that on the surface of CaA zeolite, the FVa light chain C2 domain behaves differently than on natural PS membranes, and can affect the double-foot adsorption state by adjusting surface charge density, resulting in higher cofactor activity for FVa.
JOURNAL OF COLLOID AND INTERFACE SCIENCE
(2022)
Article
Chemistry, Physical
Chen Chen, Fang Huang, Lingjie Jia, Li Zhang, Eryu Chen, Lijun Liang, Zhe Kong, Xinping Wang, Wei Zhang, Jia-Wei Shen
Summary: This study investigates the effect of interlayer spacing and hydrophilicity on the desalination performance of multilayer graphene-based membranes. It was found that water flux increased with decreasing hydrophilicity, and rejection rate was mainly determined by the effective distance of interlayer spacing.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Hanxing Zhou, Zhe-Xing Xie, Lijun Liang, Pengzhen Zhang, Xuanchao Ma, Zhe Kong, Jia-Wei Shen, Wei Hu
Summary: The research shows that the vertical adsorption of double-strand DNA on the MoSe2 surface is favored through terminal bases, with the main driving force being van der Waals force. Additionally, the length and base sequence of ds-DNA do not affect its selection of vertically adsorbed orientation on the MoSe2 surface, and the ds-DNA structure remains stable after adsorption.
Article
Biochemistry & Molecular Biology
Lijun Liang, Zhisen Zhang, Hongbo Wang, Jia-Wei Shen, Zhe Kong
Summary: Through more than 40 conductance events from microsecond molecular dynamics simulation, soft knock-on ion permeation mediated by water molecules in sodium channels was observed and confirmed. The change of average distance between four oxygen atoms in Glu177-Glu177 was found to play a crucial role in Na+ ion permeation. Exploration of the ionic conductance mechanism may guide the design of ion channel targeted drugs.
INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES
(2021)
Review
Chemistry, Physical
Wei-Jie Zhao, Lijun Liang, Zhe Kong, Jia-Wei Shen
Summary: This article discusses the application of graphene-based biomimetic membranes in seawater desalination, focusing on the gap between experimental and computational simulation results.
JOURNAL OF MOLECULAR LIQUIDS
(2021)
Article
Chemistry, Physical
Junhao Dai, Junli Sun, Lushuang Xu, Yixin Lu, Xiaoyue Xu, Quan Hu, Lijun Liang, Li Zhang, Tian Xie, Jia-Wei Shen
Summary: In this study, molecular dynamics simulation was used to investigate the translocation process of the anticancer drug methotrexate (MTX) through carbon nanotube (CNT) nanochannels embedded in cell membranes. The size of the nanochannels and the intensity of applied electric fields were found to co-regulate the translocation behavior and dynamics of MTX. These findings have important implications for the design and application of biomimetic nanochannels and drug delivery systems.
JOURNAL OF MOLECULAR LIQUIDS
(2022)
Article
Pharmacology & Pharmacy
Lushuang Xu, Yue Sun, Yue Li, Junli Sun, Yong Guo, Qiying Shen, Qiaolin Wei, Jia-Wei Shen
Summary: Disulfiram (DSF), an FDA-approved drug for alcoholism, has shown antitumor activity, particularly when combined with certain antitumor drugs. It acts as a multidrug resistance (MDR) modulator and forms a complex with copper ions (Cu2+) with antitumor activity. The use of DSF for synergistic targeted drug delivery in cancer treatment has attracted attention in the biomedical field. This review summarizes synergistic delivery systems using DSF and discusses the limitations and future directions in tumor therapy.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2022)
Article
Chemistry, Physical
Jun Lan, Yiran Peng, Lijun Liang, Xing Duan, Zhe Kong, Li Zhang, Jia-Wei Shen
Summary: This study investigated the interactions between proteins with different secondary structures and a planar heterojunction using molecular dynamics simulations. The results showed that proteins can be stably adsorbed on the heterojunction, with a preference for the hBN region. The secondary structure of proteins had different effects on the adsorption and structural changes, and the initial orientation also played a role. The adsorption was primarily driven by van der Waals and hydrophobic interactions.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2023)
Article
Chemistry, Physical
Junhui Yao, Chen Chen, Jing Zhang, Li Zhang, Wei Zhang, Jia-Wei Shen, Lijun Liang
Summary: This manuscript investigates the effect of charge distribution in MoS2 nanosheets on the desalination performance of the lamellar MoS2 membrane using molecular dynamics simulation. The results suggest that the model considering the atomic charge describes the transport behavior of salt solution in the membranes better and the water flux passing through the membrane is less influenced by the atomic charges in the MoS2 nanosheet.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2022)
Article
Materials Science, Biomaterials
Qiying Shen, Quan Hu, Ting Tang, Xiaoying Ying, Gaofeng Shu, Jiawei Shen, Chong Teng, Yongzhong Du
Summary: This study developed a novel strategy for effective treatment of rheumatoid arthritis (RA) by using an ICAM-1-modified drug carrier to enhance the therapeutic effect of tofacitinib (TOF) and combining it with microwave hyperthermia (MH). The drug carrier specifically distributed into the inflamed joints of RA mice, and it could rapidly release the drug under thermal conditions. The combination of the drug carrier and MH resulted in a significantly enhanced anti-rheumatic activity.
BIOMATERIALS ADVANCES
(2022)
Article
Materials Science, Multidisciplinary
Peng-Zhen Zhang, Fang-Fang Jiao, Zhe-Xing Xie, Zhe Kong, Wei Hu, Jia-Wei Shen, Li-Jun Liang
Summary: In this study, the mechanism of phospholipid extraction from cell membranes using graphene quantum dots (GQDs) and graphene oxide quantum dots (GOQDs) was investigated through molecular dynamics (MD) simulations. The simulations showed that GQDs can rapidly extract phospholipid molecules from the cell membrane, while GOQDs have weaker extraction ability due to the presence of hydrophilic hydroxyl groups.
MATERIALS ADVANCES
(2022)
Review
Chemistry, Multidisciplinary
Lijun Liang, Xiangming Peng, Fangfang Sun, Zhe Kong, Jia-Wei Shen
Summary: This review explores the biosafety of graphene quantum dots (GQDs) through experiments and simulations, providing detailed explanations of the findings. By analyzing both experimental and simulated results, the study discusses trends towards improved biosafety of GQDs in future research.
NANOSCALE ADVANCES
(2021)
Article
Pharmacology & Pharmacy
Greta Camilla Magnano, Marika Quadri, Elisabetta Palazzo, Roberta Lotti, Francesca Loschi, Stefano Dall'Acqua, Michela Abrami, Francesca Larese Filon, Alessandra Marconi, Dritan Hasa
Summary: This study aimed to investigate the loading of sildenafil citrate in three commercial transdermal vehicles using 3D full-thickness skin equivalent and compare the results with permeability experiments using porcine skin. The results showed that the results obtained using the 3D skin equivalent were comparable to those obtained using porcine skin, suggesting that the 3D skin model can be a valid alternative for ex-vivo skin absorption experiments.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2024)
Article
Pharmacology & Pharmacy
James W. Mckeage, Andrew Z. H. Tan, Andrew J. Taberner
Summary: Needle-free jet injection is a promising alternative drug delivery technique that offers rapid, non-invasive, and large-volume injections. The study presents a prototype multi-orifice nozzle and a computational fluid dynamic model to demonstrate the feasibility and effectiveness of this technology.
INTERNATIONAL JOURNAL OF PHARMACEUTICS
(2024)
