A5040404299- Polymer Surface Interaction Studies
- Gold and Silver Nanoparticles Synthesis and Applications
- Advanced biosensing and bioanalysis techniques
- Force Microscopy Techniques and Applications
- Molecular Junctions and Nanostructures
- Monoclonal and Polyclonal Antibodies Research
- Hydrogels: synthesis, properties, applications
- Nanoparticle-Based Drug Delivery
- Surfactants and Colloidal Systems
- Lipid Membrane Structure and Behavior
- Electrostatics and Colloid Interactions
- nanoparticles nucleation surface interactions
- Nanomaterials for catalytic reactions
- Pickering emulsions and particle stabilization
- Material Dynamics and Properties
- Advanced Polymer Synthesis and Characterization
- Adhesion, Friction, and Surface Interactions
- Microfluidic and Bio-sensing Technologies
- DNA and Nucleic Acid Chemistry
- Advanced Materials Characterization Techniques
- Textile materials and evaluations
- Soil and Unsaturated Flow
- Block Copolymer Self-Assembly
- Advanced Chemical Physics Studies
- Nanofabrication and Lithography Techniques
Imperial College London
2010-2025
Thomas Young Centre
2010-2024
Institute of Physics
2020
Beijing University of Chemical Technology
2015-2019
Helmholtz-Zentrum Berlin für Materialien und Energie
2014-2016
Humboldt-Universität zu Berlin
2013-2016
Centre for Nano and Soft Matter Sciences
2016
University of Cambridge
2012-2014
Freie Universität Berlin
2014
University of Milano-Bicocca
2010-2011
We computed the Raman spectrum of amorphous GeTe by ab initio simulations and empirical bond polarizability models. The calculated is in very good agreement with experimental data contains signatures all peculiar local structures phase revealed recent simulations, namely, tetrahedral Ge defective octahedral sites for a fraction (mostly 4-coordinated) Te 3-coordinated) atoms. In particular, above $190\text{ }\text{ }{\mathrm{cm}}^{\ensuremath{-}1}$ dominated structures, while most prominent...
We present a general theory for predicting the interaction potentials between DNA-coated colloids, and more broadly, any particles that interact via valence-limited ligand-receptor binding. Our correctly incorporates configurational combinatorial entropic factors play key role in interactions. By rigorously enforcing self-consistency, it achieves near-quantitative accuracy with respect to detailed Monte Carlo calculations. With suitable approximations particular geometries, our reduces...
Abstract Functionalised nanoparticles for biomedical applications represents an incredibly exciting and rapidly growing field of research. Considering the complexity nano–bio interface, important question is to what extent can theory simulations be used study these systems in a realistic, meaningful way. In this review, we will argue positive answer question. Approaching issue from “Soft Matter” perspective, consider those properties functionalised that captured within classical description....
The solid-liquid interface free energy \gamma sl is a key parameter controlling nucleation and growth during solidification other phenomena. There are intrinsic difficulties in obtaining accurate experimental values, the previous approaches to compute with atomistic simulations computationally demanding. We propose new approach, which obtain from map of phase transition reconstructed by metadynamics. apply this benchmark case Lennard-Jones potential results confirm most reliable data...
Colloids coated with single-stranded DNA (ssDNA) can bind selectively to other colloids complementary ssDNA. The fact that DNA-coated (DNACCs) specific partners opens the prospect of making colloidal "molecules." However, in order design DNACC-based molecules, we must be able control valency colloids, i.e., number which a given DNACC bind. One obvious, but not very simple approach is decorate surface patches those on colloids. Here propose principle exploits many-body effects otherwise...
We describe a general theory for surface-catalyzed bimolecular reactions in responsive nanoreactors, catalytically active nanoparticles coated by stimuli-responsive 'gating' shell, whose permeability controls the activity of process. address two archetypal scenarios encountered this system: The first, where species diffusing from bulk solution react at catalyst's surface; second only one reactants diffuses while other is produced nanoparticle surface, e.g., light conversion. find that both...
Proteins adsorbed from the blood plasma change nanoparticles interactions with surrounding biological environment. In general, adsorption of multiple proteins has a non-monotonic time dependence, that is, at first may slowly be replaced by others. This 'Vroman effect' leads to highly dynamic protein corona on profoundly influences immune response body. Thus, temporal evolution must taken into account when considering applications nanocarriers in, e.g., nanomedicine or drug delivery. Up now,...
Recently [P. Varilly, S. Angioletti-Uberti, B. M. Mognetti, and D. Frenkel, “A general theory of DNA-mediated other valence-limited colloidal interactions,” J. Chem. Phys. 137, 094108 (2012)10.1063/1.4748100], we presented a for calculating the strength properties interactions mediated by ligand–receptor bonds (such as those that bind DNA-coated colloids). In this Communication, derive surprisingly simple analytical form interaction free energy, which was previously obtainable only via...
We report a facile and novel method for the fabrication of Cu2O@PNIPAM core-shell nanoreactors using Cu2O nanocubes as core. The PNIPAM shell not only effectively protects from oxidation, but also improves colloidal stability system. microgels can work efficiently photocatalyst decomposition methyl orange under visible light. A significant enhancement in catalytic activity has been observed compared with pure nanocubes. Most importantly, photocatalytic be further tuned by thermosensitive...
Metallic nanoparticles have been used as catalysts for various reactions, and the huge literature on subject is hard to overlook. In many applications, must be affixed a colloidal carrier easy handling during catalysis. These "passive carriers" (e.g., dendrimers) serve controlled synthesis of prevent coagulation Recently, hybrids from polymers developed that allow us change catalytic activity by external triggers. particular, single embedded in thermosensitive network made...
Designing self-assembling materials consisting of DNA-coated colloids, requires knowledge their interactions. We show how such interactions can be predicted.
From viruses to nanoparticles, constructs functionalized with multiple ligands display peculiar binding properties that only arise from multivalent effects. Using statistical mechanical modelling, we describe here how multivalency can be exploited achieve what dub range selectivity, is, targets bearing a number of receptors within specified range. We use our model characterise the region in parameter space where one expect selective targeting occur, and provide experimental support for this...
The unexplained association between infection and autoimmune disease is strongest for hepatitis C virus-induced cryoglobulinemic vasculitis (HCV-cryovas). To analyze its origins, we traced the evolution of pathogenic rheumatoid factor (RF) autoantibodies in four HCV-cryovas patients by deep single-cell multi-omic analysis, revealing three sources B cell somatic mutation converged to drive accumulation a large disease-causing clone. A method quantifying low-affinity binding revealed recurring...
Mixtures of polyelectrolytes and surfactants are useful components many fluid formulations, including shampoos conditioners. These mixtures form polyelectrolyte-surfactant complexes in solution that can adsorb on solid surfaces significantly reduce friction. Experiments have shown the charge density affects their adsorption conformation surface, which expected to strongly influence lubrication performance. Here, we use coarse-grained, non-equilibrium molecular dynamics simulations study how...
The immune system exploits a wide range of strategies to combine sensitivity with selectivity for optimal response. We propose generic physical mechanism that allows tuning the location and steepness response threshold cellular processes activated by multivalent binding. is based on possibility modulate attraction between membrane receptors. use theory simulations show how interreceptor can enhance or suppress binding ligand-coated particles surfaces. changes in less than thermal energy k B...
Realistic modelling of physical forces using dynamic DFT to describe protein diffusion onto nanogels generate quantitatively correct, time-dependent density profiles.
Tight control on the selectivity of nanoparticles' interaction with biological systems is paramount for development targeted therapies. However, large number tunable parameters makes it difficult to identify optimal design "sweet spots" without guiding principles. Here, we combine superselectivity theory soft matter physics into a unified theoretical framework and prove its validity using blood brain barrier cells as target. We apply our approach polymersomes functionalized targeting ligands...
Metallic nanoparticles embedded in stimuli-responsive polymers can be regarded as nanoreactors since their catalytic activity changed within wide limits: the physicochemical properties of polymer network tuned and switched by external parameters, e.g. temperature or pH, thus allows a selective control reactant mobility concentration close to reaction site. Based on combination Debye's model diffusion through an energy landscape two-state for polymer, here we develop analytical expression...
Abstract Die Proteinadsorption gilt als der wichtigste Faktor Wechselwirkung zwischen polymeren Biomaterialien und Körperflüssigkeiten oder ‐gewebe. Haupteinflussfaktoren auf die sind wasservermittelte hydrophobe Hydratationskräfte sowie elektrostatische Wechselwirkungen. Eine systematische Analyse verschiedener Monolagen führte zur Aufstellung allgemeiner Leitsätze, den sogenannten “Whitesides‐Regeln”. Diese Konzepte wurden erfolgreich Entwicklung proteinresistenter Oberflächen angewendet...
Nanoparticles immersed in biological fluids readily adsorb proteins. The protein corona thus generated on the surface of particles largely determines their fate. Since fluids, e.g., blood plasma, contain a large number proteins, competitive adsorption must be considered. We study lysozyme, cytochrome c, papain, and RNase A onto soft charged polymeric layer. experimental data binary mixtures are compared to theoretical model taking into account electrostatic hydrophobic interactions between...