A5081661332- Protein Structure and Dynamics
- Nuclear Physics and Applications
- thermodynamics and calorimetric analyses
- Molecular Junctions and Nanostructures
- NMR spectroscopy and applications
- Chemical Thermodynamics and Molecular Structure
- Mass Spectrometry Techniques and Applications
- Material Dynamics and Properties
- Biotin and Related Studies
- Blood properties and coagulation
- Advanced NMR Techniques and Applications
- Spectroscopy and Quantum Chemical Studies
- Atomic and Subatomic Physics Research
- Magnetic and Electromagnetic Effects
- Field-Flow Fractionation Techniques
- Chemical Reactions and Isotopes
- Lignin and Wood Chemistry
- Photochemistry and Electron Transfer Studies
- Nonlinear Optical Materials Research
- Fuel Cells and Related Materials
- Mechanical and Optical Resonators
- Advanced battery technologies research
- Vitamin D Research Studies
- RNA Interference and Gene Delivery
- Force Microscopy Techniques and Applications
Science and Technology Facilities Council
2022-2024
Rutherford Appleton Laboratory
2022-2024
Forschungszentrum Jülich
2018-2021
RWTH Aachen University
2018-2021
Jülich Aachen Research Alliance
2020
Abstract Ion-conducting polymer membranes are essential in many separation processes and electrochemical devices, including electrodialysis 1 , redox flow batteries 2 fuel cells 3 electrolysers 4,5 . Controlling ion transport selectivity these largely hinges on the manipulation of pore size. Although membrane structures can be designed dry state 6 they redefined upon hydration owing to swelling electrolyte solutions. Strategies control a deeper understanding structure evolution vital for...
In the realm of nanoscience, dynamic behaviors liquids at scales beyond conventional structural relaxation time, τ, unfold a fascinating blend solid-like characteristics, including propagation collective shear waves and emergence elasticity. However, in classical bulk liquids, where τ is typically order 1 ps or less, this behavior remains elusive low-frequency region density states (DOS). Here, we provide evidence for emergent nature short distances through inelastic neutron scattering...
Molecular dynamics plays an important role for the biological function of proteins. For protein ligand interactions, changes conformational entropy and hydration layer are relevant binding process. Quasielastic neutron scattering (QENS) was used to investigate differences in ligand-bound ligand-free streptavidin. Protein were probed both on fast picosecond time scale using time-of-flight spectroscopy slower nanosecond high-resolution backscattering spectroscopy. We found internal equilibrium...
Thermophoretic behavior of a free protein changes upon ligand binding and gives access to information on the constants. The Soret effect has also been proven be promising tool gain hydration layer, as temperature dependence thermodiffusion is sensitive solute-solvent interactions. In this work, we perform systematic thermophoretic measurements streptavidin (STV) complex STV with biotin (B) using thermal diffusion forced Rayleigh scattering (TDFRS). Our experiments show that sensitivity...
A new detection system based on an array of 3 He tubes and innovative fast electronics has been installed the high-intensity small-angle neutron scattering (SANS) diffractometer KWS-2 operated by Jülich Centre for Neutron Science (JCNS) at Heinz Meier-Leibnitz Zentrum in Garching, Germany. The is composed 18 eight-pack modules that work independently one another (each unit its own processor electronics). To improve read-out characteristics reduce noise, are mounted a closed case rear tubes'...
Protein-ligand interactions are of vital importance for biological functions. The function proteins, such as ligand-binding, is strongly influenced by their dynamics. Quasielastic neutron scattering (QENS) was used to investigate the internal molecular dynamics streptavidin (STV). QENS experiments probe were performed on a ps and 50-100 timescale using inverted geometry time-of-flight spectrometers. At timescale, equilibrium motions proved be unaffected biotin (B) binding. However,...
In this work, we have carried out a comprehensive characterization of the vibrational spectroscopy non-planar molecule thianthrene. The combination infrared, Raman and inelastic neutron scattering spectroscopies is highly complementary allows all modes to be observed. Periodic density-functional theory calculations provided unambiguous assignments spectra. literature states that C–S stretch occur in 600–800 cm −1 range. We find while there are involve sulfur motion region, consequence ortho...
By using a combination of experimental neutron scattering techniques, it is possible to obtain statistical perspective on red blood cell (RBC) shape in suspensions, and the inter-relationship with protein interactions dynamics inside confinement membrane. In this study, we examined ultrastructure RBC protein-protein haemoglobin (Hb) them ultra-small-angle small-angle (SANS). addition, used backscattering method access Hb motion ns time scale Å length scale. Quasi-elastic (QENS) experiments...
Inspired by the modular architecture of natural signaling proteins, ligand binding proteins are equipped with two fluorescent (FPs) in order to obtain Förster resonance energy transfer (FRET)-based biosensors. Here, we investigated a glucose sensor where donor and acceptor FPs were attached protein using variety different linker sequences. For three resulting constructs corresponding induced conformational changes measured small angle X-ray scattering (SAXS) compared recently published...
Normal-to-malignant transformation is a poorly understood process associated with cellular biomechanical properties. These are strongly dependent on the dynamical behaviour of water, known to play fundamental role in normal activity and maintenance three-dimensional architecture tissue functional state biopolymers. In this study, quasi-elastic neutron scattering was used probe water human cancer specimens their respective surrounding from breast tongue, as an innovative approach for...
In December 1997 the Osiris beamline at ISIS facility, UK, recorded its first neutron spectrum. The instrument enjoyed a stint as cold diffractometer before spectroscopic capabilities were fully commissioned. soon became workhorse quasielastic spectrometer well highly successful low-energy spectrometer. status of is recognized by user community with high-impact publications ranging from energy materials over life science to quantum matter. To enhance existing silicon analyzer under...
Normal-to-cancer (NTC) transition is known to be closely associated cell´s biomechanical properties which are dependent on the dynamics of intracellular medium. This study probes different human cancer cells (breast, prostate and lung), concomitantly their healthy counterparts, aiming at characterising dynamical profile water in distinct cellular locations, for each type cell, how it changes between normal states. An increased plasticity cytomatrix observed upon normal-to-malignant...
Molecular recognition via protein–ligand interactions is of fundamental importance to numerous processes in living organisms. Microscale thermophoresis (MST) uses the sensitivity thermophoretic response upon ligand binding access information on reaction kinetics. Additionally, promising as a tool gain hydration layer, temperature dependence thermodiffusion behaviour sensitive solute-solvent interactions. To quantify influence structural fluctuations and conformational motion protein entropy...
At frequencies higher than the inverse of structural relaxation time $\tau$, dynamics liquids display several solid-like properties, including propagating collective shear waves and emergent elasticity. However, in classical bulk liquids, where $\tau$ is typically order 1 ps or less, this behavior remains elusive low-frequency region vibrational density states (VDOS). Here, we provide compelling evidence for nature at short distances through inelastic neutron scattering measurements VDOS...
Understanding the phase behavior and microscopic diffusion mechanism of cationic vesicles is crucial for controlled-release kinetics in gene/DNA transfection. Here, we report our findings on structure, behavior, dynamics a vesicle based double-chained surfactant, dihexadecyldimethylammonium bromide (DHDAB), which promising candidate nonviral carrier. Small-angle neutron-scattering measurements reveal that DHDAB aggregates are form unilamellar vesicles. Calorimetric studies show strong...
Protein dynamics play a vital role in biology. Quasi elastic neutron scattering (QENS) is an ideal method to access these dynamics. To isolate protein dynamics, it important separate the signal of buffer and protein. Normally data analysis performed based on assumption that spectrum incoherent. observe full range necessary perform experiments solution. This solution usually fully deuterated buffer, while remains protonated. It generally assumed subtracting contribution removes all coherent...
Protein ligand interactions play an important role in biology. Increasingly the aim is to understand and influence protein binding. The binding process heavily influenced by its thermodynamic parameters. In order how whole system thermodynamics work it characterise individual contribution of each systems components. While change conformational entropy can be determined using QENS complementary methods are necessary all This paper will describe challenges that occur when combining different...
By using a combination of experimental neutron scattering techniques, it is possible to obtain statistical perspective on red blood cell (RBC) shape in suspensions, and the inter-relationship with protein interactions dynamics inside confinement membrane. In this study, we examined ultrastructure RBC protein-protein haemoglobin (Hb) them ultra-small-angle small-angle (SANS). addition, used backscattering method access Hb motion ns time scale A length scale. Quasi-elastic (QENS) experiments...