Modeling and simulation of protein–surface interactions: achievements and challenges

M Ozboyaci, DB Kokh, S Corni… - Quarterly reviews of …, 2016 - cambridge.org
Understanding protein–inorganic surface interactions is central to the rational design of new
tools in biomaterial sciences, nanobiotechnology and nanomedicine. Although a significant …

Hydrophobic and hydrophilic Au and Ag nanoparticles. Breakthroughs and perspectives

I Fratoddi - Nanomaterials, 2017 - mdpi.com
This review provides a broad look on the recent investigations on the synthesis,
characterization and physico-chemical properties of noble metal nanoparticles, mainly gold …

Origins of the pH-Responsive photoluminescence of peptide-functionalized Au nanoclusters

L Zanetti-Polzi, P Charchar, I Yarovsky, S Corni - ACS nano, 2022 - ACS Publications
Ultrasmall peptide-protected gold nanoclusters are a promising class of bioresponsive
material exhibiting pH-sensitive photoluminescence. We present a theoretical insight into …

Molecular modeling for nanomaterial–biology interactions: Opportunities, challenges, and perspectives

T Casalini, V Limongelli, M Schmutz, C Som… - … in bioengineering and …, 2019 - frontiersin.org
Injection of nanoparticles (NP) into the bloodstream leads to the formation of a so-called
“nano–bio” interface where dynamic interactions between nanoparticle surfaces and blood …

Non-invasive in vivo sensing of bacterial implant infection using catalytically-optimised gold nanocluster-loaded liposomes for urinary readout

K Chen, A Najer, P Charchar, C Saunders… - Nature …, 2024 - nature.com
Staphylococcus aureus is a leading cause of nosocomial implant-associated infections,
causing significant morbidity and mortality, underscoring the need for rapid, non-invasive …

A unified AMBER-compatible molecular mechanics force field for thiolate-protected gold nanoclusters

E Pohjolainen, X Chen, S Malola… - Journal of Chemical …, 2016 - ACS Publications
We present transferable AMBER-compatible force field parameters for thiolate-protected
gold nanoclusters. Five different sized clusters containing both organo-soluble and water …

Ligand impact on reactive oxygen species generation of Au10 and Au25 nanoclusters upon one- and two-photon excitation

H Fakhouri, MP Bakulić, I Zhang, H Yuan… - Communications …, 2023 - nature.com
In photodynamic therapy (PDT), light-sensitive photosensitizers produce reactive oxygen
species (ROS) after irradiation in the presence of oxygen. Atomically-precise thiolate …

Mechanistic insights into the size-dependent effects of nanoparticles on inhibiting and accelerating amyloid fibril formation

T John, J Adler, C Elsner, J Petzold, M Krueger… - Journal of Colloid and …, 2022 - Elsevier
The aggregation of peptides into amyloid fibrils has been linked to ageing-related diseases,
such as Alzheimer's and type 2 diabetes. Interfaces, particularly those with large …

Probing the influence of citrate-capped gold nanoparticles on an amyloidogenic protein

G Brancolini, A Corazza, M Vuano, F Fogolari… - ACS …, 2015 - ACS Publications
Nanoparticles (NPs) are known to exhibit distinct physical and chemical properties
compared with the same materials in bulk form. NPs have been repeatedly reported to …

The study of transient protein–nanoparticle interactions by solution NMR spectroscopy

M Assfalg, L Ragona, K Pagano, M D'Onofrio… - … et Biophysica Acta (BBA …, 2016 - Elsevier
The rapid development of novel nanoscale materials for applications in biomedicine urges
an improved characterization of the nanobio interfaces. Nanoparticles exhibit unique …