In Bio4C we propose a revolutionary biomimetic system for effective and sustainable CO2 fixation into formate, an energy vector for biofuel or value-added chemicals generation. The overall goal is to develop a new bio-enabled material capable of effective conversion of CO2 to alternative fuels and chemicals, where the complex chemical processes carried out in bacteria or living cells are reproduced by a biomimetic artificial system composed of individual enzymes in their active form, closely packed to reach the highest possible density and embedded into bacterial-like coats able to preserve the enzymes in working conditions and allowing the entry of reagents (CO2, HCO3-), the exit of the product (HCOO-) and the exchange of electron-transfer mediators. Formate dehydrogenase (FDH) enzymes in the crystal form will be used as catalyst to convert CO2 into formate.
The project will be carried out by three research units: i) National Research Council of Italy (CNR), including researchers belonging to the Institute of Crystallography (IC) and the Institute of Biomembranes, Bioenergetics and Molecular Biotechnologies (IBIOM), both seated in Bari, ii) University Aldo Moro of Bari (UNIBA), including researchers belonging to the Department Pharmacy – Pharmaceutical Sciences and the Department of Translational Biomedicine and Neuroscience, and iii) PROMOCS lab of University of Calabria (UNICAL), Department of Chemistry and Chemical Technologies. PROMOCS will deal with computational modelling to optimize the FDH activity, to assist the choice of best mediators and to find the best working conditions for the catalytic cell.
Optimization of interfaces in quasi-solid state Lithium metal batteries
The world is changing over to electric modes of transportation which helps to reduce carbon emissions and the backbone of battery technologies has become a hot topic of development. Optimization of Interfaces in Quasi-solid state Lithium Metal Batteries (3Interfaces) responds to the need for the development of a safe, novel high energy efficient, and power-density solid-state battery, based on cobalt-free cathode (LNMO), high-energy Li metal (LiM) anode and safer quasi solid electrolyte for application in electric vehicles. The general objective of 3Interfaces is to conduct a holistic study of the interactions between high-voltage cathode materials and hybrid electrolytes to develop interface modifications to surpass the intrinsic limitations of current techniques. The project also addresses cobalt-free cathode materials by developing a new low-cost synthesis, an urgent problem calling for long-term independence from this critical raw material. 3Interfaces is built by a multidisciplinary and highly research-experienced consortium that covers battery material experts, modeling, and cell testing. The outcome of 3Interfaces will be fostered in the SSB domain bringing a sustainable future for green transportation.
PROMOCS will perform calculations using Density Functional Theory (DFT) in order to optimize the plating/stripping process of lithium metal. PROMOCS will analyze the influence of ceramics such as NASICON on lithium diffusion mechanisms in hybrid electrolytes in order to optimize interfacial layer configuration.
Novel Photo-activated Carbon Monoxide Releasing Materials for Biomedical Applications
To date, low concentration of CO showed beneficial biological effects including the cyto-protective activity during inflammation, promotion of wound healing processes, bio-regulatory and signaling properties. In addition, CO has remarkably advantageous biological effects, such as a reduction in the resistance to chemotherapy and the proliferation of cancer cells. The development of carbon monoxide-releasing molecules (CORMs) as pro-drugs for delivery of CO to cells and tissues in vivo is an attractive and safe alternative to inhalative application. The location, timing, and dosage of CO release can all be precisely controlled with photo-activated CO release. The project aims to develop new photoactivatable metal-based compounds capable of releasing CO molecules upon illumination with a visible light source for CO therapeutic applications. To gain this goal we will combine experimental and computational tools, exploiting the expertise of the research groups belonging to the two countries.
PROMOCS will perform calculations using Density Functional Theory (DFT) and its time-dependent formulation to investigate the general mechanism of action of metal-based photo CORMs in order to provide structural modification helping in improving CO release from both kinetic and thermodynamic point of view. Moreover, the interaction between photo-CORMs and biological residues potentially involved in the pathway of their photoactivation will be studied.