Exploring bio-inspired systems: a synergy between multiscale experimental and computational approaches
Location: CECAM-AT
Organisers
The investigation of systems at the nanoscale, whether to design new functionalized materials or to explore novel properties of existing nanosystems, is a joint effort between the experimental and computational communities of scientists. Nature provides excellent models of powerful nanomachines, including proteins, antibodies and nucleic acids, which can be exploited to both realise smart nanomaterials and inspire the design of novel functionalized nanoparticles. Moreover, the study of the physical properties of biological nanoparticles and nanostructures could be paramount for understanding and curing many diseases, such as cancer and degenerative pathologies.
Amongst the bio-inspired particles, macromolecules such as polymers or colloids can be realised to be both bio-compatible and responsive to external stimuli. Such smart materials are developed to be highly tunable and controllable, thus ensuring the best performance in many applications, which spans different fields, such as bio-medicine (as in drug delivery [1] or tissue engineering and regenerative medicines [2]), biosensing and diagnostics [3], environmental remediation [4] and energy harvesting and storage [5].
Amongst biological macromolecules, DNA has emerged as one of the most promising candidates to be employed in the development of bottom-up nanotechnologies as its physical and chemical properties render it extremely useful for controlled functionalisation [6-9]. Also, when nucleobases pair according to schemes other than the well-known double helix, different conformations form, such as G-quadruplexes (G4s) among others, whose unique properties may have several medical implications and a number of technological applications [10-13].
From a theoretical perspective, the description of the properties of these systems has to account for the competition of a high number of interactions occurring at different lenght and timescales. Numerical simulations that take into account all the microscopic forces (atomistic description), are essential to provide a microscopic description of the materials. Nevertheless, force fields used in atomistic simulations do not necessarily provide always accurate results, and all atom simulations limit the study to a few, not to say a single, macromolecules. Mesoscopic properties, instead, can be successfully addressed by employing more simplified (yet rigorous) descriptions: from multiscale methodologies up to extremely coarse grained (ECG) models.
Designing and understanding bio-inspired systems builds upon a continuous synergy between theory and experiments; microscopies, scattering and rheology provide inputs, insights and benchmarks. Moreover, the experimental characterisation of bio and bio-inspired materials is the fundamental bridge towards the realisation of new smart materials.
References
Emanuela Bianchi (Technische Universität Wien) - Organiser
Italy
Lucia COMEZ (CNR-IOM) - Organiser
Barbara Capone (Roma Tre University) - Organiser
Cristiano De Michele ("Sapienza" University of Rome) - Organiser
Sara Del Galdo (Roma Tre University) - Organiser
Laura Lupi (Università Roma Tre) - Organiser