Optical actuation of inorganic/organic interfaces: comparing peptide-azobenzene ligand reconfiguration on gold and silver nanoparticles

Photoresponsive molecules that incorporate peptides capable of material-specific recognition provide a basis for biomolecule-mediated control of the nucleation, growth, organization, and activation of hybrid inorganic/organic nanostructures. These hybrid molecules interact with the inorganic surface through multiple noncovalent interactions which allow reconfiguration in response to optical stimuli. Here, we quantify the binding of azobenzene-peptide conjugates that exhibit optically triggered cis-trans isomerization on Ag surfaces and compare to their behavior on Au. These results demonstrate differences in binding and switching behavior between the Au and Ag surfaces. These molecules can also produce and stabilize Au and Ag nanoparticles in aqueous media where the biointerface can be reproducibly and reversibly switched by optically triggered azobenzene isomerization. Comparisons of switching rates and reversibility on the nanoparticles reveal differences that depend upon whether the azobenzene is attached at the peptide N- or C-terminus, its isomerization state, and the nanoparticle composition. Our integrated experimental and computational investigation shows that the number of ligand anchor sites strongly influences the nanoparticle size. As predicted by our molecular simulations, weaker contact between the hybrid biomolecules and the Ag surface, with fewer anchor residues compared with Au, gives rise to differences in switching kinetics on Ag versus Au. Our findings provide a pathway toward achieving new remotely actuatable nanomaterials for multiple applications from a single system, which remains difficult to achieve using conventional approaches.

Aqueous peptide-TiO2 interfaces: isoenergetic binding via either entropically or enthalpically driven mechanisms

A major barrier to the systematic improvement of biomimetic peptide-mediated strategies for the controlled growth of inorganic nanomaterials in environmentally benign conditions lies in the lack of clear conceptual connections between the sequence of the peptide and its surface binding affinity, with binding being facilitated by noncovalent interactions. Peptide conformation, both in the adsorbed and in the nonadsorbed state, is the key relationship that connects peptide-materials binding with peptide sequence. Here, we combine experimental peptide-titania binding characterization with state-of-the-art conformational sampling via molecular simulations to elucidate these structure/binding relationships for two very different titania-binding peptide sequences. The two sequences (Ti-1, QPYLFATDSLIK; Ti-2, GHTHYHAVRTQT) differ in their overall hydropathy, yet via quartz-crystal microbalance measurements and predictions from molecular simulations, we show these sequences both support very similar, strong titania-binding affinities. Our molecular simulations reveal that the two sequences exhibit profoundly different modes of surface binding, with Ti-1 acting as an entropically driven binder while Ti-2 behaves as an enthalpically driven binder. The integrated approach presented here provides a rational basis for peptide sequence engineering to achieve the in situ growth and organization of titania nanostructures in aqueous media and for the design of sequences suitable for a range of technological applications that involve the interface between titania and biomolecules.

Kinect with ROS, interact with oculus: towards dynamic user interfaces for robotic teleoperation

Teleoperation remains an important aspect for robotic systems especially when deployed in unstructured environments. While a range of research strives for robots that are completely autonomous, many robotic applications still require some level of human-in-The-loop control. In any situation where teleoperation is required an effective User Interface (UI) remains a key component within the systems design. Current advancements in Virtual Reality (VR) software and hardware such as the Oculus Rift, HTC Vive and Google Cardboard combined with greater transparency to robotic systems afforded by middleware such as the Robot Operating System (ROS) provides an opportunity to rapidly improve traditional teleoperation interfaces. This paper uses a System of System (SoS) approach to present the concept of a Virtual Reality Dynamic User Interface (VRDUI) for the teleoperation of heterogeneous robots. Different geometric virtual workspaces are discussed and a cylindrical workspace aligned with interactive displays is presented as a virtual control room. A presentation mode within the proposed VRDUI is also detailed, this shows how point cloud information obtained from the Microsoft Kinect can be incorporated within the proposed virtual workspace. This point cloud data is successfully processed into an OctoMap utilizing the octree data structure to create a voxelized representation of the 3D scanned environment. The resulting OctoMap is then displayed to an operator as a 3D point cloud using the Oculus Rift Head Mounted Display (HMD).

Investigation of conformationally switchable biomolecular ligands at aqueous metallic interfaces.

An atomistic understanding was garnered through large scale molecular simulations, for the adsorption and interaction of reconfigurable hybrid biomolecule components at different aqueous metallic interfaces. This would allow for the development of future hybrid biomolecular ligands that could be used to synthesise novel and tuneable materials with unique electromagnetic properties.