A5062976136- Nanopore and Nanochannel Transport Studies
- Lipid Membrane Structure and Behavior
- Microfluidic and Bio-sensing Technologies
- Advanced biosensing and bioanalysis techniques
- Microfluidic and Capillary Electrophoresis Applications
- Ion channel regulation and function
- Mass Spectrometry Techniques and Applications
- Electrowetting and Microfluidic Technologies
- Supramolecular Self-Assembly in Materials
- Phase Equilibria and Thermodynamics
- Electrostatics and Colloid Interactions
- Protein Interaction Studies and Fluorescence Analysis
- Spacecraft and Cryogenic Technologies
- RNA Interference and Gene Delivery
- Ion-surface interactions and analysis
- Inhalation and Respiratory Drug Delivery
- Spectroscopy and Quantum Chemical Studies
- Analytical Chemistry and Sensors
- Surfactants and Colloidal Systems
King's College London
2017-2022
University of Oxford
2013-2017
Ion channels play key roles in cell membranes, and recent advances are yielding an increasing number of structures. However, their functional relevance is often unclear better tools required for annotation. In sub-nanometer pores such as ion channels, hydrophobic gating has been shown to promote dewetting produce a functionally closed (i.e., non-conductive) state. Using the serotonin receptor (5-HT3R) structure example, we demonstrate use molecular dynamics aid annotation channel structures...
It is desirable that nanopores are components of biosensors gated, i.e., capable controllable switching between closed (impermeable) and open (permeable) states. A central hydrophobic barrier within a nanopore may act as voltage-dependent gate via electrowetting, changes in surface wettability by application an electric field. We use "computational electrophysiology" simulations to demonstrate characterize electrowetting biomimetic containing gate. show model β-barrel can be functionally...
A macromolecular nanopore inserted into a membrane may perturb the dynamic organization of surrounding lipid bilayer. To better understand nature such perturbations, we have undertaken systematic molecular dynamics simulation study bilayer structure and around three different classes nanopore: carbon nanotube, related cyclic peptide nanotubes differing in their external surfaces, model β-barrel protein. Periodic spatial distributions several properties as function distance from were...
Nanopores in membranes have a range of potential applications. Biomimetic design nanopores aims to mimic key functions biological pores within stable template structure. Molecular dynamics simulations been used test whether simple β-barrel protein nanopore can be modified incorporate hydrophobic barrier permeation. Simulations evaluate functional properties such nanopores, using water flux as proxy for ionic conductance. The behavior these model has characterized function pore size and the...
The inclusion of glycerol in formulations for pulmonary drug delivery may affect the bioavailability inhaled steroids by retarding their transport across lung epithelium. aim this study was to evaluate whether molecular interactions with model interfaces provide a biophysical basis modifying transport. Dipalmitoylphosphatidylcholine (DPPC) monolayers and liposomes were used as interfaces, order examine effects bulk (0–30% w/w) on structures dynamics using complementary measurements (MD)...
The accurate sequencing of DNA using nanopores requires control over the speed translocation through pores and also conformation. Our studies show that ssDNA translocates hourglass-shaped with hydrophobic constriction regions when an electric field is applied. provides a barrier to thereby slows down movement pore compared without constriction. We moves these in extended conformation therefore does not form undesirable secondary structures may affect accuracy partial current blockages for sequencing.
Cholesterol plays a key role in the molecular and mesoscopic organisation of lipid membranes it is expected that changes its structure (e.g., through environmental factors such as oxidative stress) may affect adversely membrane properties function. In this study, we present evidence oxidation cholesterol has significant effects on mechanical properties, lipid–sterol interactions condensed monolayers composed main species found inner leaflet erythrocyte membrane. Using combination...