ERC FUNDED PROJECTS

Microporous materials are an important class of solid; the two main members of this family are zeolites and metal-organic frameworks (MOFs). Zeolites are industrial solids whose applications range from catalysis, through ion exchange and adsorption technologies to medicine. MOFs are some of the most exciting new materials to have been developed over the last two decades, and they are just beginning to be applied commercially. Over recent years the applicant’s group has developed new synthetic strategies to prepare microporous materials, called the Assembly-Disassembly-Organisation-Reassembly (ADOR) process. In significant preliminary work the ADOR process has shown to be an extremely important new synthetic methodology that differs fundamentally from traditional solvothermal methods. In this project I will look to overturn the conventional thinking in materials science by developing methodologies that can target both zeolites and MOF materials that are difficult to prepare using traditional methods – the so-called ‘unfeasible’ materials. The importance of such a new methodology is that it will open up routes to materials that have different properties (both chemical and topological) to those we currently have. Since zeolites and MOFs have so many actual and potential uses, the preparation of materials with different properties has a high chance of leading to new technologies in the medium/long term. To complete the major objective I will look to complete four closely linked activities covering the development of design strategies for zeolites and MOFs (activities 1 & 2), mechanistic studies to understand the process at the molecular level using in situ characterisation techniques (activity 3) and an exploration of potential applied science for the prepared materials (activity 4).

2 489 220 €

Start date: 2018-10-01, End date: 2023-09-30

Despite that C–H functionalization represents a paradigm shift from the standard logic of organic synthesis, the selective activation of non-functionalized alkanes has puzzled chemists for centuries and is always referred to one of the remaining major challenges in chemical sciences. Alkanes are inert compounds representing the major constituents of natural gas and petroleum. Converting these cheap and widely available hydrocarbon feedstocks into added-value intermediates would tremendously affect the field of chemistry. For long saturated hydrocarbons, one must distinguish between non-equivalent but chemically very similar alkane substrate C−H bonds, and for functionalization at the terminus position, one must favor activation of the stronger, primary C−H bonds at the expense of weaker and numerous secondary C-H bonds. The goal of this work is to develop a general principle in organic synthesis for the preparation of a wide variety of more complex molecular architectures from saturated hydrocarbons. In our approach, the alkane will first be transformed into an alkene that will subsequently be engaged in a metal-catalyzed hydrometalation/migration sequence. The first step of the sequence, ideally represented by the removal of two hydrogen atoms, will be performed by the use of a mutated strain of Rhodococcus. The position and geometry of the formed double bond has no effect on the second step of the reaction as the metal-catalyzed hydrometalation/migration will isomerize the double bond along the carbon skeleton to selectively produce the primary organometallic species. Trapping the resulting organometallic derivatives with a large variety of electrophiles will provide the desired functionalized alkane. This work will lead to the invention of new, selective and efficient processes for the utilization of simple hydrocarbons and valorize the synthetic potential of raw hydrocarbon feedstock for the environmentally benign production of new compounds and new materials.

2 499 375 €

Start date: 2018-11-01, End date: 2023-10-31

The objective of the project is to develop a computational approach to accelerate the discovery of molecular materials. These materials will include porous molecules, small organic molecules and macromolecular polymers, which have application as a result of either their porosity or optoelectronic properties. The applications that will be targeted include in molecular separations, sensing, (photo)catalysis and photovoltaics. To achieve my aims, I will screen libraries of building blocks through a combination of techniques including evolutionary algorithms and machine learning. Through the application of cheminformatics algorithms, I will target the most promising libraries, assess synthetic diversity and accessibility and analyse structure-property relationships. I will develop software that will predict the (macro)molecular structures and properties; the molecular property screening calculations will include void characterisation, binding energies, diffusion barriers, local assembly, charge transport and energy level assessment. A consideration of synthetic accessibility at every stage will be central to my approach, which will ensure the realisation of our predicted targets. I have several synthetic collaborators who can provide pathways to synthetic realisation. Improved materials in this field have the potential to either reduce our energy needs or provide renewable energy, helping the EU meet the targets of the 2030 Energy Strategy.

1 499 390 €

Start date: 2018-04-01, End date: 2023-03-31

What are the origins of inequalities in health? A recent literature in economics has established causal impacts of early life shocks, investments and policies on lifelong health. However, several unknowns remain. The mechanisms through which shocks, investments, and policies interact are just beginning to be understood. Our knowledge of sensitive periods is imprecise. Little is also known about the impact of shocks and policies across different ages. Commonly used health capital measures, such as birth weight, lack sensitivity and specificity. The interplay between genes and environments in the formation of health inequalities is poorly understood. To fill these gaps, I will build on insights from my earlier work, and use a combination of high-quality data, more sensitive measures, robust identification strategies and richer models to untangle the complex interactions between biology, shocks, investments and policies. First, I will investigate causal impacts and mechanisms of two public health policies on child health and development: medical treatments for pregnancy complications and prenatal home visiting programmes. Second, I will examine the effects of two environmental shocks (pollution and influenza) on the formation of early health and human capital, and their interplay with maternal investments in nutrition. Third, I will study interactions between shocks, investments and policies from birth to adulthood, to understand the dynamic interplay between SES and health. Throughout, I will explore their interactions with genetic susceptibility or potential. I will analyse administrative records, registries linked to survey data, cohort data with biomarkers; and a randomized controlled trial. I will use state-of-the-art econometric techniques for observational and experimental data. My findings will have direct policy implications and will help understand whether and to which extent early life interventions are a cost-effective mean to promote health.

1 738 763 €

Start date: 2019-04-01, End date: 2024-03-31