Search results for "conformation"
showing 10 items of 1414 documents
Nanostructuring with a crosslinkable discotic material.
2007
A high-yielding synthesis afforded a hexa-peri-hexabenzocoronene carrying acrylate units at the end of six attached alkyl spacers. The polymerization of these acrylate moieties could be initiated with thermal energy and through direct photoactivation without the addition of a photoinitiator. This allowed the organization of the liquid-crystalline material to be fixed in either the crystalline state or the mesophase, which preserved the organization in the respective phase. The use of a focused synchrotron beam permitted selected regions of a thin film to be rendered insoluble. After "developing" the film in this lithographic process by dissolving the soluble, unpolymerized material, defined…
Self-Assembled Monolayer-Functionalized Half-Metallic Manganite for Molecular Spintronics
2012
(La,Sr)MnO(3) manganite (LSMO) has emerged as the standard ferromagnetic electrode in organic spintronic devices due to its highly spin-polarized character and air stability. Whereas organic semiconductors and polymers have been mainly envisaged to propagate spin information, self-assembled monolayers (SAMs) have been overlooked and should be considered as promising materials for molecular engineering of spintronic devices. Surprisingly, up to now the first key step of SAM grafting protocols over LSMO surface thin films is still missing. We report the grafting of dodecyl (C12P) and octadecyl (C18P) phosphonic acids over the LSMO half-metallic oxide. Alkylphosphonic acids form ordered self-a…
Formation and Rupture of Schottky Nanocontacts on ZnO Nanocolumns
2007
In this paper, the electrical transport and mechanical properties of Pt/ZnO Schottky nanocontacts have been studied simultaneously during the formation and rupture of the nanocontacts. By combining multidimensional conducting scanning force spectroscopy with appropriated data processing, the physical relevant parameters (the ideality factor, the Schottky barrier height, and the rupture voltage) are obtained. It has been found that the transport curves strongly depend on the loading force. For loading forces higher than a threshold value, the transport characteristics are similar to those of large-area Schottky contact, while below this threshold deviations from strictly thermionic emission …
Force probe simulations using an adaptive resolution scheme
2021
Molecular simulations of the forced unfolding and refolding of biomolecules or molecular complexes allow to gain important kinetic, structural and thermodynamic information about the folding process and the underlying energy landscape. In force probe molecular dynamics (FPMD) simulations, one pulls one end of the molecule with a constant velocity in order to induce the relevant conformational transitions. Since the extended configuration of the system has to fit into the simulation box together with the solvent such simulations are very time consuming. Here, we apply a hybrid scheme in which the solute is treated with atomistic resolution and the solvent molecules far away from the solute a…
Smart High-κ Nanodielectrics Using Solid Supported Polyoxometalate-Rich Nanostructures
2011
Utilizing Langmuir-Blodgett deposition and scanning probe microscopy, we have investigated the extent to which cations alter the self-assembly processes of hybrid polyoxometalates (POMs) on surfaces. The well-defined 2D hexagonal nanostructures obtained were extensively characterized and their properties were studied, and this has revealed fascinating dielectric behavior and reversible capacitive properties. The nanostructures are extremely stable under ambient conditions, and yet exhibit fascinating self-patterning upon heating. These findings present POMs as effective smart nanodielectrics and open up a new field for future POM applications. (c) 2011 American Chemical Society.
Novel biosensoric devices based on molecular protein hetero-multilayer films
1997
We have developed a novel concept for the modification of technical surfaces with molecularly well-organized layers of bioorganic components. A molecular construction set has been used to implement this concept which is based on molecularly stratified polyelectrolyte films as a structure decoupling protein layers from solid substrates. Utilizing this technology, one can start from a number of different substrates to obtain the same surface structures, on which protein hetero-multilayer films can be prepared to functionalize the interface for (potentially very different) purposes. We have demonstrated the viability of this concept by constructing a biosensor surface that was characterized by…
Tracking the structural dynamics of proteins in solution using time-resolved wide-angle X-ray scattering
2008
We demonstrate tracking of protein structural changes with time-resolved wide-angle X-ray scattering (TR-WAXS) with nanosecond time resolution. We investigated the tertiary and quaternary conformational changes of human hemoglobin under nearly physiological conditions triggered by laser-induced ligand photolysis. We also report data on optically induced tertiary relaxations of myoglobin and refolding of cytochrome c to illustrate the wide applicability of the technique. By providing insights into the structural dynamics of proteins functioning in their natural environment, TR-WAXS complements and extends results obtained with time-resolved optical spectroscopy and X-ray crystallography.
Endothelialization of chitosan porous conduits via immobilization of a recombinant fibronectin fragment (rhFNIII7–10)
2013
Abstract The present study aimed to develop a pre-endothelialized chitosan (CH) porous hollowed scaffold for application in spinal cord regenerative therapies. CH conduits with different degrees of acetylation (DA; 4% and 15%) were prepared, characterized (microstructure, porosity and water uptake) and functionalized with a recombinant fragment of human fibronectin (rhFNIII 7–10 ). Immobilized rhFNIII 7–10 was characterized in terms of amount ( 125 I-radiolabelling), exposure of cell-binding domains (immunofluorescence) and ability to mediate endothelial cell (EC) adhesion and cytoskeletal rearrangement. Functionalized conduits revealed a linear increase in immobilized rhFNIII 7–10 with rhF…
Influence of Substrate Hydrophilicity on Structural Properties of Supported Lipid Systems on Graphene, Graphene Oxides, and Silica
2021
Pristine graphene, a range of graphene oxides, and silica substrates were used to investigate the effect of surface hydrophilicity on supported lipid bilayers by means of all-atom molecular dynamics simulations. Supported 1,2-dioleoyl-sn-glycero-3-phosphocholine lipid bilayers were found in close-contact conformations with hydrophilic substrates with as low as 5% oxidation level, while self-assembled monolayers occur on pure hydrophobic graphene only. Lipids and water at the surface undergo large redistribution to maintain the stability of the supported bilayers. Deposition of bicelles on increasingly hydrophilic substrates shows the continuous process of reshaping of the supported system a…
Conformational Changes and Charge Transfer in Biomolecules Resolved Using Dynamic Enhanced Raman Correlation Spectroscopy
2019
International audience; In this contribution, we report that conforma-tional changes of molecules that are often buried in a wide-distributed Gaussian distribution can be discerned by analyzing the dynamics of specific Raman lines. We investigate the pertinence of the auto-and cross-correlation functions applied to the dynamics of three Raman lines of an amino acid, the tryptophan. The cross-correlation between intensity and the Raman band is an indicator of the charge transfer during the diffusion limited reaction of tryptophan and the gold surface. The Pećlet number Pe can provide a valuable indicator of the convective and/or diffusive features of each Raman band. Adsorption induced confo…