Self-assembly of amphiphilic homopolymers grafted onto spherical nanoparticles: complete embedded minimal surfaces and a machine learning algorithm for their recognition DOI

D. A. Mitkovskiy,

Alexei А. Lazutin, А. Л. Талис

et al.

Soft Matter, Journal Year: 2024, Volume and Issue: unknown

Published: Jan. 1, 2024

By means of computer modelling, the self-assembly amphiphilic A-

Language: Английский

Computer-aided nanodrug discovery: recent progress and future prospects DOI Creative Commons
Jia‐Jia Zheng, Qiao-Zhi Li, Zhenzhen Wang

et al.

Chemical Society Reviews, Journal Year: 2024, Volume and Issue: 53(18), P. 9059 - 9132

Published: Jan. 1, 2024

Nanodrugs, which utilise nanomaterials in disease prevention and therapy, have attracted considerable interest since their initial conceptualisation the 1990s. Substantial efforts been made to develop nanodrugs for overcoming limitations of conventional drugs, such as low targeting efficacy, high dosage toxicity, potential drug resistance. Despite significant progress that has nanodrug discovery, precise design or screening with desired biomedical functions prior experimentation remains a challenge. This is particularly case regard personalised precision nanodrugs, require simultaneous optimisation structures, compositions, surface functionalities nanodrugs. The development powerful computer clusters algorithms it possible overcome this challenge through

Language: Английский

Citations

9

Toward the Integration of Machine Learning and Molecular Modeling for Designing Drug Delivery Nanocarriers DOI

Xuejiao J. Gao,

Krzesimir Ciura,

Yuanjie Ma

et al.

Advanced Materials, Journal Year: 2024, Volume and Issue: unknown

Published: Sept. 10, 2024

Abstract The pioneering work on liposomes in the 1960s and subsequent research controlled drug release systems significantly advances development of nanocarriers (NCs) for delivery. This field is evolved to include a diverse array such as liposomes, polymeric nanoparticles, dendrimers, more, each tailored specific therapeutic applications. Despite significant achievements, clinical translation limited, primarily due low efficiency delivery an incomplete understanding nanocarrier interactions with biological systems. Addressing these challenges requires interdisciplinary collaboration deep nano‐bio interface. To enhance design, scientists employ both physics‐based data‐driven models. Physics‐based models provide detailed insights into chemical reactions at atomic molecular scales, while leverage machine learning analyze large datasets uncover hidden mechanisms. integration presents harmonizing different modeling approaches ensuring model validation generalization across However, this crucial developing effective targeted By integrating enhanced data infrastructure, explainable AI, computational advances, potentials, researchers can develop innovative nanomedicine solutions, ultimately improving outcomes.

Language: Английский

Citations

8

Antibody‐level Bacteria Grabbing by “Mechanic Invasion” of Bioinspired Hedgehog Artificial Mesoporous Nanostructure for Hierarchical Dynamic Identification and Light‐Response Sterilization DOI Open Access
Sijie Liu,

Rui Shu,

Huilin Jia

et al.

Advanced Materials, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 19, 2025

Abstract The interactions exploration between microorganisms and nanostructures are pivotal steps toward advanced applications, but the antibody‐level bacteria grabbing is limited by poor understanding of interface identification mechanisms in small‐sized systems. Herein, de novo design a bioinspired hedgehog artificial mesoporous nanostructure (core–shell Au@Pt (mAPt)) proposed to investigate association topography efficient grabbing. These observations indicate that virus‐like spiky compensates for obstacles faced materials grabbing, including lack requisite microscopic cavities sufficient contact area. Molecular dynamics simulation reveals with heightened mechano‐invasiveness (6.56 × 10 3 KJ mol −1 ) facilitates attributed “mechanic invasion”‐induced hierarchical dynamic ranging from rough surface penetration fixation. Furthermore, light reflectance finite element calculation confirmed mAPt exhibits near‐superblack characteristic plasmonic hot spot, facilitating enhanced photothermal conversion power dissipation density at 2.04 21 W m −3 . After integrating response, enables applications immunoassay 50‐fold sensitivity enhancement over 99.99% vitro sterilization. It anticipated this novel biomimetic provides deeper promising paradigm combating.

Language: Английский

Citations

0

Polypept(o)ide‐Based Core–Shell Bottlebrush Polymers: A Versatile Platform for Drug Encapsulation DOI Creative Commons

Bonan Zhao,

Jinjia Wei, Rüdiger Berger

et al.

Macromolecular Bioscience, Journal Year: 2025, Volume and Issue: unknown

Published: April 22, 2025

Abstract Cylindrical bottlebrush polymers (CBPs) enable the precise adjustment of nanoparticle properties such as size, shape, and functionality exclusively by polymer synthesis. In addition, block copolymer side chains direct access to core–shell structure. this study, synthesis polypept(o)ides‐based CBPs is presented through a “grafting‐from” strategy. While, poly‐lysine (pLys) serves backbone, poly(γ‐benzyl‐ l ‐glutamic acid)‐block‐polysarcosine (pGlu(OBn)‐ b ‐pSar) copolymers form chains. This approach enables nanoparticles, referred brushes (CSBs), with hydrodynamic radius ( R h ) from 17 70 nm, molecular weights (1320–4000 kg mol −1 dispersity indices ≈1.3 determined size‐exclusion chromatography. Dasatinib chosen drug molecule model explore potential synthetical CSBs platform for encapsulation π – ‐interactions. An overall loading efficiency 10% achieved, which also displayed sustained release within 72 h, cellular uptake into human glioblastoma (U‐87 MG) cells, drug‐related therapeutic efficacy. While can be further optimized covalent attachment, these results establish strong foundation use in nanomedicine.

Language: Английский

Citations

0

Branched Polymer Architecture for Modulating Interactions in Material-Bio Interface DOI

Fahimeh Taghavimandi,

Min Gyu Kim, Mingyu Lee

et al.

Tissue Engineering and Regenerative Medicine, Journal Year: 2025, Volume and Issue: unknown

Published: March 8, 2025

Language: Английский

Citations

0

Self-Assembled Glycopeptide as a Biocompatible mRNA Vaccine Platform Elicits Robust Antitumor Immunity DOI
Yang Zhou,

Ye Wu,

Shengjie Sun

et al.

ACS Nano, Journal Year: 2025, Volume and Issue: unknown

Published: April 9, 2025

Since the emergence of COVID-19 pandemic, mRNA vaccines have garnered significant attention. Delivery systems affect effectiveness vaccines, yet there remains a scarcity vectors that can achieve safe and efficient delivery mRNA. We took advantage self-assembled glycopeptides (SAPs) to develop vector named Man-MPm, which was coupled with mannose manganese ions lymph node targeting STING pathway activation. The Man-MPm-based vaccine exhibited high biosafety across various administration routes, eliciting robust antigen-specific immune responses within nodes. Due elevated antitumor immunity, Man-MPm significantly suppressed tumor growth extended survival period mice in melanoma prevention treatment models as well colon cancer model. Our findings show addresses challenges safety associated by incorporating node-targeting ligand agonist onto highly biocompatible SAP, holds great potential for developing vaccines.

Language: Английский

Citations

0

Emerging trends in chitosan based colloidal drug delivery systems: A translational journey from research to practice DOI
Murli Manohar,

Amitha Shetty,

Cynthia Lizzie Lobo

et al.

Carbohydrate Polymers, Journal Year: 2025, Volume and Issue: unknown, P. 123604 - 123604

Published: April 1, 2025

Language: Английский

Citations

0

Bottlebrush Polymers: From Synthesis to Properties and Applications DOI
Keling Hu, Rong Mu,

Zhengfeng Ma

et al.

Macromolecular Rapid Communications, Journal Year: 2025, Volume and Issue: unknown

Published: May 4, 2025

Abstract Bottlebrush polymers (BBPs) have emerged as a special class of macromolecules composed linear backbone the main chain with densely grafted polymeric side chains. BBPs present many unique properties, such low entanglement, high extension backbone, and extremely plateau shear moduli relative to their analogs due distinct conformational topological characteristics. This review summarizes recent significant advances BBPs, from synthetic methods versatile properties applications in areas super‐soft elastomers, photonic crystals, self‐assembly, friction, biomimetic tissues, bio‐interfacial interactions enhance cell penetration anti‐fouling performance, drug delivery, other emerging (polymer electrolyte, catalyst support, covalent adaptable networks). Meanwhile, molecular dynamic simulations are discussed tool disclose relationship between structures properties. will comprehensively summarize studies on point out direction give prediction application trend, comment future BBPs.

Language: Английский

Citations

0

Nonequilibrium Solution-Based Assemblies from Bottlebrush Block Copolymers for Drug Delivery DOI
Jeonghun Lee, Chiraz Toujani, Yao Tang

et al.

ACS Nano, Journal Year: 2025, Volume and Issue: unknown

Published: May 8, 2025

Kinetic aspects of the self-assembly process block copolymers are great interest, as they can direct assembly through specific pathways, yielding nonequilibrium states with complex and unprecedented nanostructures. Assembly kinetics diblock bottlebrushes was shown to influence material properties their solid-state nanostructures, yet little is known regarding solution-based structures. Herein, we target nanoparticles from a zwitterionic bottlebrush consisting poly(d,l-lactide) poly(2-methacryloyloxyethyl phosphorylcholine) side-chains. Triggered by large rapid change in solvent quality, examine resulting structures (nanoparticles) equilibrium analogues (micelles). Using combination microscopy light scattering methods well molecular simulations, gain microscopic understanding experimentally observed differences between two systems. Compared micelles, were have considerably lower aggregation number (accurately predicted micellar evolution kinetics) more frustrated core-block packing, along surface density hydrophilic chains. Both types assemblies possessed excellent hemocompatibility colloidal stability under physiological conditions, concentrated salt solutions, elevated temperature cycling. Encapsulation biopharmaceutics classification system (BCS) class II drug showed superior loading capacities efficiencies for that not achievable micelles. In essence, this research provides insight effects stabilization bottlebrushes, laying groundwork future optimization delivery platform.

Language: Английский

Citations

0

Bioengineering nanomaterials for tumor therapy and anti-metastasis DOI
Junjie Cheng,

Yuanbo Pan,

Jianhua Zou

et al.

Progress in Materials Science, Journal Year: 2024, Volume and Issue: unknown, P. 101375 - 101375

Published: Sept. 1, 2024

Language: Английский

Citations

2