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Engineered Nano-Structured Virus/ZnO Hybrid Materials with Dedicated Functional Properties
摘要： Bio-inspired mineralization for the production of new functional materials offers mild reaction conditions suitable to integrate biological templates and build hierarchically organized hybrid nanostructures with defined properties. In this respect, tobacco mosaic virus (TMV) stands out due to its unique structural dimensions. Here, we present a novel mineralization pathway for synthesis of virus-based ZnO hybrids with multifunctional properties. Wild-type TMV (wt-TMV), two TMV mutants (E50Q and TMV-Cys) and amino-functionalized self-assembled monolayers (NH2-SAMs), as a reference, were used as templates. This mineralization approach allows control of the particle size of the inorganic phase. Further, the virus contributes additionally to the texturing of ZnO. Field effect transistors (FETs) built from the hybrid films showed reproducible results at optimized conditions at close to ambient conditions and without post-treatment. The significantly reduced threshold voltage of the E50Q/ZnO FET compared to NH2-SAMs/ZnO FET points to the impact of the organic template on FET performance. Nacre-like virus-based ZnO multilayers and corresponding monolithic references were prepared. The mechanical properties by means of Young’s modulus, hardness and fracture toughness were determined and an increase of the mechanical performance by genetic modification was observed.
关键词： field effect transistors,Bio-inspired mineralization,ZnO hybrids,mechanical properties,tobacco mosaic virus
更新于2025-09-11 14:15:04
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Molecular Mechanics Simulations and Improved Tight-Binding Hamiltonians for Artificial Light Harvesting Systems: Predicting Geometric Distributions, Disorder, and Spectroscopy of Chromophores in a Protein Environment
摘要： We present molecular mechanics and spectroscopic calculations on prototype artificial light harvesting systems consisting of chromophores attached to a tobacco mosaic virus (TMV) protein scaffold. These systems have been synthesized and characterized spectroscopically, but information about the microscopic configurations and geometry of these TMV-templated chromophore assemblies is largely unknown. We use a Monte Carlo conformational search algorithm to determine the preferred positions and orientations of two chromophores, Coumarin 343 together with its linker, and Oregon Green 488, when these are attached at two different sites (104 and 123) on the TMV protein. The resulting geometric information shows that the extent of disorder and aggregation properties, and therefore the optical properties of the TMV-templated chromophore assembly, are highly dependent on the choice of chromophores and protein site to which they are bound. We used the results of the conformational search as geometric parameters together with an improved tight-binding Hamiltonian to simulate the linear absorption spectra and compare with experimental spectral measurements. The ideal dipole approximation to the Hamiltonian is not valid since the distance between chromophores can be very small. We found that using the geometries from the conformational search is necessary to reproduce the features of the experimental spectral peaks.
关键词： tobacco mosaic virus (TMV),linear absorption spectra,spectroscopic calculations,artificial light harvesting systems,Monte Carlo conformational search,tight-binding Hamiltonian,molecular mechanics,chromophores
更新于2025-09-10 09:29:36