Machine Learning Aided Design and Optimization of Antifouling Surfaces

Langmuir, Год журнала: 2024, Номер 40(43), С. 22504 - 22515

Опубликована: Окт. 16, 2024

Antifouling surfaces, renowned for their strong surface resistance to proteins, cells, or tissues in various biological and environmental conditions, have broad applications implanted devices, antibacterial coatings, biosensors, responsive materials, water treatment, lab-on-a-chip. While extensive experimental research exists on antifouling machine learning studies this topic are relatively few. This perspective specifically focuses exploring the complex relationships between composition, structure, properties of examining how these factors correlate with hydration protein adsorption. Different models been developed analyze predict single multiple adsorptions types ranging from structureless surfaces well-ordered rigid self-assembled monolayers, dynamically ordered polymer brushes, filtration membranes. These not only identify key descriptors functional groups critical performance (surface hydration, adsorption) but also a specific surface. Recognizing current challenges, delineates future directions field. By leveraging comparing approaches, it aims advance both design fundamental understanding thereby pushing boundaries innovation

Язык: Английский

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Transmembrane clustering of short amyloid peptide fragments: A coarse grained molecular dynamics study

Biophysical Chemistry, Год журнала: 2025, Номер 320-321, С. 107418 - 107418

Опубликована: Фев. 20, 2025

Язык: Английский

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Melatonin regulation of phase separation in Neuro-PASC: out-maneuvering Janus-faced amyloids

Exploration of neuroscience, Год журнала: 2025, Номер 4

Опубликована: Март 24, 2025

The SAR-CoV-2 virus has evolved to co-exist with human hosts, albeit at a substantial energetic cost resulting in post-infection neurological manifestations [Neuro-post-acute sequelae of SARS-CoV-2 infection (PASC)] that significantly impact public health and economic productivity on global scale. One the main molecular mechanisms responsible for development Neuro-PASC, individuals all ages, is formation inadequate proteolysis/clearance phase-separated amyloid crystalline aggregates—a hallmark feature aging-related neurodegenerative disorders. Amyloidogenesis during viral persistence natural, inevitable, protective defense response exacerbated by SARS-CoV-2. Acting as chemical catalyst, accelerates hydrophobic collapse heterogeneous nucleation amorphous amyloids into stable β-sheet aggregates. clearance aggregates most effective slow wave sleep, when high levels adenosine triphosphate (ATP)—a biphasic modulator biomolecular condensates—and melatonin are available solubilize removal. dysregulation mitochondrial dynamics SARS-CoV-2, particular fusion fission homeostasis, impairs proper distinct subpopulations can remedy challenges created diversion substrates away from oxidative phosphorylation towards glycolysis support replication maintenance. subsequent reduction ATP inhibition synthesis sleep results incomplete brain aggregates, leading commonly associated age-related Exogenous not only prevents dysfunction but also elevates production, effectively augmenting solubilizing effect moiety ensure timely, optimal disaggregation pathogenic prevention attenuation Neuro-PASC.

Язык: Английский

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Polylysine Derivatives with a Potent Antibacterial Ability for Effectively Treating Methicillin-Resistant Staphylococcus aureus-Induced Endophthalmitis

ACS Biomaterials Science & Engineering, Год журнала: 2025, Номер unknown

Опубликована: Май 21, 2025

Bacterial endophthalmitis (BE) is a severe ocular infection that can lead to irreversible blinding disease. When diagnosed with BE, the main treatment approach empirically administering intravitreal antibiotic injections. However, excessive use of antibiotics leads increased drug resistance in pathogens, and retinal dose-limiting toxicities greatly limit its application clinic. In this work, we present series polylysine derivatives (PLL-n) for bacterial endophthalmitis. By precisely adjusting balance hydrophilic/hydrophobic, optimal polymer, PLL-2, demonstrates high efficacy against Staphylococcus aureus (S. aureus), Escherichia coli (E. coli), various clinically isolated drug-resistant bacteria. The antibacterial mechanism showed PLL-2 could effectively destroy membrane death. Due unique mechanism, exhibits rapid bactericidal kinetics does not induce up 16 generations. More importantly, significant therapeutic effect on methicillin-resistant S. aureus-induced rat model, which presents promising managing

Язык: Английский

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Interplay between Antimicrobial Peptides and Amyloid Proteins in Host Defense and Disease Modulation

Langmuir, Год журнала: 2024, Номер unknown

Опубликована: Ноя. 20, 2024

The biological properties of antimicrobial peptides (AMPs) and amyloid proteins their cross-talks have gained increasing attention due to potential implications in both host defense mechanisms amyloid-related diseases. However, complex interactions, molecular mechanisms, physiological applications are not fully understood. interplay between is crucial for uncovering new insights into immune disease bridging critical gaps understanding infectious neurodegenerative This review provides an overview the cross-talk AMPs amyloids, highlighting intricate interplay, action, therapeutic implications. dual roles AMPs, which only serve as key components innate system, combating microbial infections, but also exhibit modulatory effects on formation toxicity, discussed. diverse employed by modulate aggregation, fibril formation, toxicity Additionally, we explore emerging evidence suggesting that may possess properties, adding a dimension relationship amyloids. underscores importance amyloids better understand processes underlying diseases disorders aid development avenues treat them.

Язык: Английский

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Pathophysiological Implications of Nucleotide Self-Assembly: Adenine-Derived Nucleotides Aggregation in Disease Mechanisms

bioRxiv (Cold Spring Harbor Laboratory), Год журнала: 2024, Номер unknown

Опубликована: Ноя. 2, 2024

Abstract Adenine nucleotides, including adenosine monophosphate, diphosphate, and triphosphate, play pivotal roles in cellular bioenergetics, nucleic acid metabolism, signal transduction. However, their propensity to undergo self-assembly form supramolecular aggregates under certain conditions is not well-characterized. In this study, we examined the self-assembly, aggregation, cytotoxicity of AMP, ADP, ATP both fresh aged conditions. Utilizing advanced microscopy techniques, Thioflavin T (ThT) fluorescence assays, cross-seeding experiments, identified oligomer formation freshly prepared nucleotide solutions, which progressed larger, more stable over time. The cytotoxic potential these was assessed using vitro models, human retinal pigment epithelial (RPE-1) colorectal carcinoma (HCT-116) cell lines. Our findings demonstrate that aggregation induces significant effects, particularly Further investigations into bacterial toxicity models revealed similar deleterious impacts, indicating a broad-spectrum biological stress response aggregates. These results suggest may contribute dysfunction, offering new insights non-canonical disease pathophysiology, potentially analogous protein misfolding disorders.

Язык: Английский

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Effect and Mechanism of Oritavancin on hIAPP Amyloid Formation

Journal of Materials Chemistry B, Год журнала: 2024, Номер unknown

Опубликована: Дек. 28, 2024

The binding of oritavancin to hIAPP suppresses amyloidosis, thereby alleviating the resultant oxidative damage and apoptosis cells.

Язык: Английский

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Pathogenesis-Associated Bacterial Amyloids: The Network of Interactions

Biochemistry (Moscow), Год журнала: 2024, Номер 89(12-13), С. 2107 - 2132

Опубликована: Дек. 1, 2024

Язык: Английский

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