HydrogelFinder: A Foundation Model for Efficient Self‐Assembling Peptide Discovery Guided by Non‐Peptidal Small Molecules DOI Creative Commons

Xuanbai Ren,

Jiaying Wei,

Xiaoli Luo

et al.

Advanced Science, Journal Year: 2024, Volume and Issue: 11(26)

Published: May 5, 2024

Abstract Self‐assembling peptides have numerous applications in medicine, food chemistry, and nanotechnology. However, their discovery has traditionally been serendipitous rather than driven by rational design. Here, HydrogelFinder, a foundation model is developed for the design of self‐assembling from scratch. This explores self‐assembly properties molecular structure, leveraging 1,377 non‐peptidal small molecules to navigate chemical space improve structural diversity. Utilizing 111 peptide candidates are generated synthesized 17 peptides, subsequently experimentally validating biophysical characteristics nine ranging 1–10 amino acids—all achieved within 19‐day workflow. Notably, two de novo‐designed demonstrated low cytotoxicity biocompatibility, as confirmed live/dead assays. work highlights capacity HydrogelFinder diversify through molecules, offering powerful toolkit paradigm future endeavors.

Language: Английский

Physical strategies to engineer supramolecular composite hydrogels for advanced biomedical applications DOI

Sravan Baddi,

Auphedeous Y. Dang-i,

Fengli Gao

et al.

Progress in Materials Science, Journal Year: 2025, Volume and Issue: 151, P. 101428 - 101428

Published: Jan. 9, 2025

Language: Английский

Citations

3

Data‐Driven Theoretical Modeling of Centrifugal Step Emulsification and Its Application in Comprehensive Multiscale Analysis DOI Creative Commons
Xin Wang,

Xiaolu Cai,

Chao Wan

et al.

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

Published: Feb. 8, 2025

Tailored droplet generation is crucial for microfluidics that involve samples of varying sizes. However, the absence precise predictive models forces platforms to rely on empiricism derived from extensive experiments, underscoring need comprehensive modeling analysis. To address this, a novel customized assembled centrifugal step emulsifier (CASE) presented by incorporating "jigsaw puzzles" design efficiently acquire large-scale experimental data. Numerical simulations are utilized analyze fluid configurations during emulsification, identifying key connection tube determines size. By training and verifying with simulation datasets, theoretical model established allows preliminary size frequency an average error rate 4.8%, successfully filling critical gap in existing field. This empowers CASE achieve all-in-one functionality, including pre-design, generation, manipulation, on-site detection. As proof concept, multiscale sample analysis ranging nanoscale nucleic acids microscale bacteria 3D cell spheroids realized CASE. In summary, this platform offers valuable guidance emulsifiers promotes adoption biochemical assays.

Language: Английский

Citations

2

Advancing Synthetic Hydrogels through Nature‐Inspired Materials Chemistry DOI Creative Commons
Bram G. Soliman,

Ashley K. Nguyen,

J. Justin Gooding

et al.

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

Published: June 19, 2024

Synthetic extracellular matrix (ECM) mimics that can recapitulate the complex biochemical and mechanical nature of native tissues are needed for advanced models development disease. Biomedical research has heavily relied on use animal-derived biomaterials, which is now impeding their translational potential convoluting biological insights gleaned from in vitro tissue models. Natural hydrogels have long served as a convenient effective cell culture tool, but advances materials chemistry fabrication techniques present promising new avenues creating xenogenic-free ECM substitutes appropriate organotypic microphysiological systems. However, significant challenges remain synthetic matrices approximate structural sophistication, complexity, dynamic functionality tissues. This review summarizes key properties ECM, discusses recent approaches used to systematically decouple tune these matrices. The importance mechanics, such viscoelasticity plasticity, also discussed, particularly within context organoid engineered Emerging design strategies mimic reviewed, multi-network hydrogels, supramolecular chemistry, assembled monomers.

Language: Английский

Citations

14

Mechanical Regulation of Polymer Gels DOI
Chenggong Xu,

Yi Chen,

Siyang Zhao

et al.

Chemical Reviews, Journal Year: 2024, Volume and Issue: 124(18), P. 10435 - 10508

Published: Sept. 16, 2024

The mechanical properties of polymer gels devote to emerging devices and machines in fields such as biomedical engineering, flexible bioelectronics, biomimetic actuators, energy harvesters. Coupling network architectures interactions has been explored regulate supportive characteristics gels; however, systematic reviews correlating mechanics interaction forces at the molecular structural levels remain absent field. This review highlights engineering gel a comprehensive mechanistic understanding regulation. Molecular alters architecture manipulates functional groups/moieties level, introducing various permanent or reversible dynamic bonds dissipative energy. usually uses monomers, cross-linkers, chains, other additives. Structural utilizes casting methods, solvent phase regulation, mechanochemistry, macromolecule chemical reactions, biomanufacturing technology construct tailor topological structures, heterogeneous modulus compositions. We envision that perfect combination may provide fresh view extend exciting new perspectives this burgeoning also summarizes recent representative applications with excellent properties. Conclusions are provided from five aspects concise summary, mechanism, biofabrication upgraded applications, synergistic methodology.

Language: Английский

Citations

14

HydrogelFinder: A Foundation Model for Efficient Self‐Assembling Peptide Discovery Guided by Non‐Peptidal Small Molecules DOI Creative Commons

Xuanbai Ren,

Jiaying Wei,

Xiaoli Luo

et al.

Advanced Science, Journal Year: 2024, Volume and Issue: 11(26)

Published: May 5, 2024

Abstract Self‐assembling peptides have numerous applications in medicine, food chemistry, and nanotechnology. However, their discovery has traditionally been serendipitous rather than driven by rational design. Here, HydrogelFinder, a foundation model is developed for the design of self‐assembling from scratch. This explores self‐assembly properties molecular structure, leveraging 1,377 non‐peptidal small molecules to navigate chemical space improve structural diversity. Utilizing 111 peptide candidates are generated synthesized 17 peptides, subsequently experimentally validating biophysical characteristics nine ranging 1–10 amino acids—all achieved within 19‐day workflow. Notably, two de novo‐designed demonstrated low cytotoxicity biocompatibility, as confirmed live/dead assays. work highlights capacity HydrogelFinder diversify through molecules, offering powerful toolkit paradigm future endeavors.

Language: Английский

Citations

13