Project acronym 2DTHERMS
Project Design of new thermoelectric devices based on layered and field modulated nanostructures of strongly correlated electron systems
Researcher (PI) Jose Francisco Rivadulla Fernandez
Host Institution (HI) UNIVERSIDAD DE SANTIAGO DE COMPOSTELA
Call Details Starting Grant (StG), PE3, ERC-2010-StG_20091028
Summary Design of new thermoelectric devices based on layered and field modulated nanostructures of strongly correlated electron systems
Summary
Design of new thermoelectric devices based on layered and field modulated nanostructures of strongly correlated electron systems
Max ERC Funding
1 427 190 €
Duration
Start date: 2010-11-01, End date: 2015-10-31
Project acronym AMPCAT
Project Self-Amplifying Stereodynamic Catalysts in Enantioselective Catalysis
Researcher (PI) Oliver Trapp
Host Institution (HI) RUPRECHT-KARLS-UNIVERSITAET HEIDELBERG
Call Details Starting Grant (StG), PE5, ERC-2010-StG_20091028
Summary Think about an enantioselective catalyst, which can switch its enantioselectivity and which can be imprinted and provides self-amplification by its own chiral reaction product. Think about a catalyst, which can be fine-tuned for efficient stereoselective synthesis of drugs and other materials, e.g. polymers.
Highly promising reactions such as enantioselective autocatalysis (Soai reaction) and chiral catalysts undergoing dynamic interconversions, e.g. BIPHEP ligands, are still not understood. Their application is very limited to a few compounds, which opens the field for novel investigations.
I propose the development of a smart or switchable chiral ligand undergoing dynamic interconversions. These catalysts will be tuned by their reaction product, and this leads to self-amplification of one of the stereoisomers. I propose a novel fundamental mechanism which has the potential to overcome the limitations of the Soai reaction, exploiting the full potential of enantioselective catalysis.
As representatives of enantioselective self-amplifying stereodynamic catalysts a novel class of diazirine based ligands will be developed, their interconversion barrier is tuneable between 80 and 130 kJ/mol. Specifically, following areas will be explored:
1. Investigation of the kinetics and thermodynamics of the Soai reaction as a model reaction by analysis of large sets of kinetic data.
2. Ligands with diaziridine moieties with flexible structure will be designed and investigated, to control the enantioselectivity.
3. Design of a ligand receptor group for product interaction to switch the chirality. Study of self-amplification in enantioselective processes.
4. Enantioselective hydrogenations, Diels-Alder reactions, epoxidations and reactions generating multiple stereocenters will be targeted.
Summary
Think about an enantioselective catalyst, which can switch its enantioselectivity and which can be imprinted and provides self-amplification by its own chiral reaction product. Think about a catalyst, which can be fine-tuned for efficient stereoselective synthesis of drugs and other materials, e.g. polymers.
Highly promising reactions such as enantioselective autocatalysis (Soai reaction) and chiral catalysts undergoing dynamic interconversions, e.g. BIPHEP ligands, are still not understood. Their application is very limited to a few compounds, which opens the field for novel investigations.
I propose the development of a smart or switchable chiral ligand undergoing dynamic interconversions. These catalysts will be tuned by their reaction product, and this leads to self-amplification of one of the stereoisomers. I propose a novel fundamental mechanism which has the potential to overcome the limitations of the Soai reaction, exploiting the full potential of enantioselective catalysis.
As representatives of enantioselective self-amplifying stereodynamic catalysts a novel class of diazirine based ligands will be developed, their interconversion barrier is tuneable between 80 and 130 kJ/mol. Specifically, following areas will be explored:
1. Investigation of the kinetics and thermodynamics of the Soai reaction as a model reaction by analysis of large sets of kinetic data.
2. Ligands with diaziridine moieties with flexible structure will be designed and investigated, to control the enantioselectivity.
3. Design of a ligand receptor group for product interaction to switch the chirality. Study of self-amplification in enantioselective processes.
4. Enantioselective hydrogenations, Diels-Alder reactions, epoxidations and reactions generating multiple stereocenters will be targeted.
Max ERC Funding
1 452 000 €
Duration
Start date: 2010-12-01, End date: 2016-05-31
Project acronym ANOPTSETCON
Project Analysis of optimal sets and optimal constants: old questions and new results
Researcher (PI) Aldo Pratelli
Host Institution (HI) FRIEDRICH-ALEXANDER-UNIVERSITAET ERLANGEN NUERNBERG
Call Details Starting Grant (StG), PE1, ERC-2010-StG_20091028
Summary The analysis of geometric and functional inequalities naturally leads to consider the extremal cases, thus
looking for optimal sets, or optimal functions, or optimal constants. The most classical examples are the (different versions of the) isoperimetric inequality and the Sobolev-like inequalities. Much is known about equality cases and best constants, but there are still many questions which seem quite natural but yet have no answer. For instance, it is not known, even in the 2-dimensional space, the answer of a question by Brezis: which set,
among those with a given volume, has the biggest Sobolev-Poincaré constant for p=1? This is a very natural problem, and it appears reasonable that the optimal set should be the ball, but this has never been proved. The interest in problems like this relies not only in the extreme simplicity of the questions and in their classical flavour, but also in the new ideas and techniques which are needed to provide the answers.
The main techniques that we aim to use are fine arguments of symmetrization, geometric constructions and tools from mass transportation (which is well known to be deeply connected with functional inequalities). These are the basic tools that we already used to reach, in last years, many results in a specific direction, namely the search of sharp quantitative inequalities. Our first result, together with Fusco and Maggi, showed what follows. Everybody knows that the set which minimizes the perimeter with given volume is the ball.
But is it true that a set which almost minimizes the perimeter must be close to a ball? The question had been posed in the 1920's and many partial result appeared in the years. In our paper (Ann. of Math., 2007) we proved the sharp result. Many other results of this kind were obtained in last two years.
Summary
The analysis of geometric and functional inequalities naturally leads to consider the extremal cases, thus
looking for optimal sets, or optimal functions, or optimal constants. The most classical examples are the (different versions of the) isoperimetric inequality and the Sobolev-like inequalities. Much is known about equality cases and best constants, but there are still many questions which seem quite natural but yet have no answer. For instance, it is not known, even in the 2-dimensional space, the answer of a question by Brezis: which set,
among those with a given volume, has the biggest Sobolev-Poincaré constant for p=1? This is a very natural problem, and it appears reasonable that the optimal set should be the ball, but this has never been proved. The interest in problems like this relies not only in the extreme simplicity of the questions and in their classical flavour, but also in the new ideas and techniques which are needed to provide the answers.
The main techniques that we aim to use are fine arguments of symmetrization, geometric constructions and tools from mass transportation (which is well known to be deeply connected with functional inequalities). These are the basic tools that we already used to reach, in last years, many results in a specific direction, namely the search of sharp quantitative inequalities. Our first result, together with Fusco and Maggi, showed what follows. Everybody knows that the set which minimizes the perimeter with given volume is the ball.
But is it true that a set which almost minimizes the perimeter must be close to a ball? The question had been posed in the 1920's and many partial result appeared in the years. In our paper (Ann. of Math., 2007) we proved the sharp result. Many other results of this kind were obtained in last two years.
Max ERC Funding
540 000 €
Duration
Start date: 2010-08-01, End date: 2015-07-31
Project acronym ANTHOS
Project Analytic Number Theory: Higher Order Structures
Researcher (PI) Valentin Blomer
Host Institution (HI) GEORG-AUGUST-UNIVERSITAT GOTTINGENSTIFTUNG OFFENTLICHEN RECHTS
Call Details Starting Grant (StG), PE1, ERC-2010-StG_20091028
Summary This is a proposal for research at the interface of analytic number theory, automorphic forms and algebraic geometry. Motivated by fundamental conjectures in number theory, classical problems will be investigated in higher order situations: general number fields, automorphic forms on higher rank groups, the arithmetic of algebraic varieties of higher degree. In particular, I want to focus on
- computation of moments of L-function of degree 3 and higher with applications to subconvexity and/or non-vanishing, as well as subconvexity for multiple L-functions;
- bounds for sup-norms of cusp forms on various spaces and equidistribution of Hecke correspondences;
- automorphic forms on higher rank groups and general number fields, in particular new bounds towards the Ramanujan conjecture;
- a proof of Manin's conjecture for a certain class of singular algebraic varieties.
The underlying methods are closely related; for example, rational points on algebraic varieties
will be counted by a multiple L-series technique.
Summary
This is a proposal for research at the interface of analytic number theory, automorphic forms and algebraic geometry. Motivated by fundamental conjectures in number theory, classical problems will be investigated in higher order situations: general number fields, automorphic forms on higher rank groups, the arithmetic of algebraic varieties of higher degree. In particular, I want to focus on
- computation of moments of L-function of degree 3 and higher with applications to subconvexity and/or non-vanishing, as well as subconvexity for multiple L-functions;
- bounds for sup-norms of cusp forms on various spaces and equidistribution of Hecke correspondences;
- automorphic forms on higher rank groups and general number fields, in particular new bounds towards the Ramanujan conjecture;
- a proof of Manin's conjecture for a certain class of singular algebraic varieties.
The underlying methods are closely related; for example, rational points on algebraic varieties
will be counted by a multiple L-series technique.
Max ERC Funding
1 004 000 €
Duration
Start date: 2010-10-01, End date: 2015-09-30
Project acronym ANTIBACTERIALS
Project Natural products and their cellular targets: A multidisciplinary strategy for antibacterial drug discovery
Researcher (PI) Stephan Axel Sieber
Host Institution (HI) TECHNISCHE UNIVERSITAET MUENCHEN
Call Details Starting Grant (StG), PE5, ERC-2010-StG_20091028
Summary After decades of successful treatment of bacterial infections with antibiotics, formerly treatable bacteria have developed drug resistance and consequently pose a major threat to public health. To address the urgent need for effective antibacterial drugs we will develop a streamlined chemical-biology platform that facilitates the consolidated identification and structural elucidation of natural products together with their dedicated cellular targets. This innovative concept overcomes several limitations of classical drug discovery processes by a chemical strategy that focuses on a directed isolation, enrichment and identification procedure for certain privileged natural product subclasses. This proposal consists of four specific aims: 1) synthesizing enzyme active site mimetics that capture protein reactive natural products out of complex natural sources, 2) designing natural product based probes to identify their cellular targets by a method called activity based protein profiling , 3) developing a traceless photocrosslinking strategy for the target identification of selected non-reactive natural products, and 4) application of all probes to identify novel enzyme activities linked to viability, resistance and pathogenesis. Moreover, the compounds will be used to monitor the infection process during invasion into eukaryotic cells and will reveal host specific targets that promote and support bacterial pathogenesis. Inhibition of these targets is a novel and so far neglected approach in the treatment of infectious diseases. We anticipate that these studies will provide a powerful pharmacological platform for the development of potent natural product derived antibacterial agents directed toward novel therapeutic targets.
Summary
After decades of successful treatment of bacterial infections with antibiotics, formerly treatable bacteria have developed drug resistance and consequently pose a major threat to public health. To address the urgent need for effective antibacterial drugs we will develop a streamlined chemical-biology platform that facilitates the consolidated identification and structural elucidation of natural products together with their dedicated cellular targets. This innovative concept overcomes several limitations of classical drug discovery processes by a chemical strategy that focuses on a directed isolation, enrichment and identification procedure for certain privileged natural product subclasses. This proposal consists of four specific aims: 1) synthesizing enzyme active site mimetics that capture protein reactive natural products out of complex natural sources, 2) designing natural product based probes to identify their cellular targets by a method called activity based protein profiling , 3) developing a traceless photocrosslinking strategy for the target identification of selected non-reactive natural products, and 4) application of all probes to identify novel enzyme activities linked to viability, resistance and pathogenesis. Moreover, the compounds will be used to monitor the infection process during invasion into eukaryotic cells and will reveal host specific targets that promote and support bacterial pathogenesis. Inhibition of these targets is a novel and so far neglected approach in the treatment of infectious diseases. We anticipate that these studies will provide a powerful pharmacological platform for the development of potent natural product derived antibacterial agents directed toward novel therapeutic targets.
Max ERC Funding
1 500 000 €
Duration
Start date: 2010-11-01, End date: 2015-10-31
Project acronym APPARENT
Project Transition to parenthood: International and national studies of norms and gender division of work at the life course transition to parenthood
Researcher (PI) Daniela Grunow
Host Institution (HI) JOHANN WOLFGANG GOETHE-UNIVERSITATFRANKFURT AM MAIN
Call Details Starting Grant (StG), SH2, ERC-2010-StG_20091209
Summary The project is the first comprehensive study to assess contemporary parenting norms and practices and their diffusion. The project develops a comparative framework to study prevalent motherhood and fatherhood norms, images, identities and behaviour in current societies. The project will focus on how parenting roles are constructed by professionals, welfare states, and popular media, and will assess how cultural and institutional norms and images are perceived and realized by expecting and new parents.
In 4 subprojects this study investigates 1) How standards of 'good' mothering and fathering are perceived, shaped and disseminated by professionals (gynaecologists, midwives, family councils); 2) How welfare states, labour markets and family policies target at mothers and fathers roles as earners and care givers, and how this has changed in recent decades; 3) How images of mothers and fathers roles have been portrayed in print media from 1980 until 2010; 4) How (expecting) mothers and fathers perceive, embody and represent parenting norms and images in their own work and family roles; 5) How new parents divide paid and unpaid work and how these divisions shape career patterns over the life course; 6) How these patterns differ cross-nationally. The international collaboration includes Sweden, the Netherlands, Germany, Italy, the Czech Republic, and Poland.
The aim of this project is to develop a contemporary sociology of adult sex roles and parenting norms: A theory of the social creation of parenting norms and a comprehensive framework to study empirically the change of men's and women's roles, identities and practices as earners and care givers in the early phase of family formation.
By combining expert interviews, policy analysis and content analysis of print media with analyses of qualitative and quantitative data on (nascent) parents, the project will address the diverse layers associated with changing gender roles and parenting norms over the adult life course.
Summary
The project is the first comprehensive study to assess contemporary parenting norms and practices and their diffusion. The project develops a comparative framework to study prevalent motherhood and fatherhood norms, images, identities and behaviour in current societies. The project will focus on how parenting roles are constructed by professionals, welfare states, and popular media, and will assess how cultural and institutional norms and images are perceived and realized by expecting and new parents.
In 4 subprojects this study investigates 1) How standards of 'good' mothering and fathering are perceived, shaped and disseminated by professionals (gynaecologists, midwives, family councils); 2) How welfare states, labour markets and family policies target at mothers and fathers roles as earners and care givers, and how this has changed in recent decades; 3) How images of mothers and fathers roles have been portrayed in print media from 1980 until 2010; 4) How (expecting) mothers and fathers perceive, embody and represent parenting norms and images in their own work and family roles; 5) How new parents divide paid and unpaid work and how these divisions shape career patterns over the life course; 6) How these patterns differ cross-nationally. The international collaboration includes Sweden, the Netherlands, Germany, Italy, the Czech Republic, and Poland.
The aim of this project is to develop a contemporary sociology of adult sex roles and parenting norms: A theory of the social creation of parenting norms and a comprehensive framework to study empirically the change of men's and women's roles, identities and practices as earners and care givers in the early phase of family formation.
By combining expert interviews, policy analysis and content analysis of print media with analyses of qualitative and quantitative data on (nascent) parents, the project will address the diverse layers associated with changing gender roles and parenting norms over the adult life course.
Max ERC Funding
1 393 751 €
Duration
Start date: 2011-01-01, End date: 2016-12-31
Project acronym ASYMMETRY
Project Measurement of CP violation in the B_s system at LHCb
Researcher (PI) Stephanie Hansmann-Menzemer
Host Institution (HI) RUPRECHT-KARLS-UNIVERSITAET HEIDELBERG
Call Details Starting Grant (StG), PE2, ERC-2010-StG_20091028
Summary The Large Hadron collider (LHC) at CERN will be a milestone for the understanding of fundamental interactions and for the future of high energy
physics. Four large experiments at the LHC are complementarily addressing the question of the origin of our Universe by searching for so-called New Physics.
The world of particles and their interactions is nowadays described by the Standard Model. Up to now there is no single measurement from laboratory experiments which contradicts this theory. However, there are still many open questions, thus physicists are convinced that there is a more fundamental theory, which incorporates New Physics.
It is expected that at the LHC either New Physics beyond the Standard Model will be discovered or excluded up to very high energies, which would revolutionize the understanding of particle physics and require completely new experimental and theoretical concepts.
The LHCb (Large Hadron Collider beauty) experiment is dedicated to precision measurements of B hadrons (B hadrons are all particles containing a beauty quark).
The analysis proposed here is the measurement of asymmetries between B_s particles and anti-B_s particles at the LHCb experiment. Any New Physics model will change the rate of observable processes via additional quantum corrections. Particle antiparticle asymmetries are extremely sensitive to these corrections thus a very powerful tool for indirect searches for New Physics contributions. In the past, most of the ground-breaking findings in particle physics, such as the existence of the
charm quark and the existence of a third quark family, have first been observed in indirect searches.
First - still statistically limited - measurements of the asymmetry in the B_s system indicate a 2 sigma deviation from the Standard Model prediction. A precision measurement of this asymmetry is potentially the first observation for New Physics beyond the Standard Model at the LHC. If no hint for New Physics will be found, this measurement will severely restrict the range of potential New Physics models.
Summary
The Large Hadron collider (LHC) at CERN will be a milestone for the understanding of fundamental interactions and for the future of high energy
physics. Four large experiments at the LHC are complementarily addressing the question of the origin of our Universe by searching for so-called New Physics.
The world of particles and their interactions is nowadays described by the Standard Model. Up to now there is no single measurement from laboratory experiments which contradicts this theory. However, there are still many open questions, thus physicists are convinced that there is a more fundamental theory, which incorporates New Physics.
It is expected that at the LHC either New Physics beyond the Standard Model will be discovered or excluded up to very high energies, which would revolutionize the understanding of particle physics and require completely new experimental and theoretical concepts.
The LHCb (Large Hadron Collider beauty) experiment is dedicated to precision measurements of B hadrons (B hadrons are all particles containing a beauty quark).
The analysis proposed here is the measurement of asymmetries between B_s particles and anti-B_s particles at the LHCb experiment. Any New Physics model will change the rate of observable processes via additional quantum corrections. Particle antiparticle asymmetries are extremely sensitive to these corrections thus a very powerful tool for indirect searches for New Physics contributions. In the past, most of the ground-breaking findings in particle physics, such as the existence of the
charm quark and the existence of a third quark family, have first been observed in indirect searches.
First - still statistically limited - measurements of the asymmetry in the B_s system indicate a 2 sigma deviation from the Standard Model prediction. A precision measurement of this asymmetry is potentially the first observation for New Physics beyond the Standard Model at the LHC. If no hint for New Physics will be found, this measurement will severely restrict the range of potential New Physics models.
Max ERC Funding
1 059 240 €
Duration
Start date: 2011-01-01, End date: 2015-12-31
Project acronym ATTOELECTRONICS
Project Attoelectronics: Steering electrons in atoms and molecules with synthesized waveforms of light
Researcher (PI) Eleftherios Goulielmakis
Host Institution (HI) MAX-PLANCK-GESELLSCHAFT ZUR FORDERUNG DER WISSENSCHAFTEN EV
Call Details Starting Grant (StG), PE2, ERC-2010-StG_20091028
Summary In order for electronics to meet the ever raising demands for higher speeds of operation, the dimensions of its basic elements drop continuously. This miniaturization, that will soon meet the dimensions of a single molecule or an atom, calls for new approaches in electronics that take advantage, rather than confront the dominant at these scales quantum laws.
Electronics on the scale of atoms and molecules require fields that are able to trigger and to steer electrons at speeds comparable to their intrinsic dynamics, determined by the quantum mechanical laws. For the valence electrons of atoms and molecules, this motion is clocked in tens to thousands of attoseconds, (1 as =10-18 sec) implying the potential for executing basic electronic operations in the PHz regime and beyond. This is approximately ~1000000 times faster as compared to any contemporary technology.
To meet this challenging goal, this project will utilize conceptual and technological advances of attosecond science as its primary tools. First, pulses of light, the fields of which can be sculpted and characterized with attosecond accuracy, for triggering as well as for terminating the ultrafast electron motion in an atom or a molecule. Second, attosecond pulses in the extreme ultraviolet, which can probe and frame-freeze the created electron motion, with unprecedented resolution, and determine the direction and the magnitude of the created currents.
This project will interrogate the limits of the fastest electronic motion that light fields can trigger as well as terminate, a few hundreds of attoseconds later, in an atom or a molecule. In this way it aims to explore new routes of atomic and molecular scale electronic switching at PHz frequencies.
Summary
In order for electronics to meet the ever raising demands for higher speeds of operation, the dimensions of its basic elements drop continuously. This miniaturization, that will soon meet the dimensions of a single molecule or an atom, calls for new approaches in electronics that take advantage, rather than confront the dominant at these scales quantum laws.
Electronics on the scale of atoms and molecules require fields that are able to trigger and to steer electrons at speeds comparable to their intrinsic dynamics, determined by the quantum mechanical laws. For the valence electrons of atoms and molecules, this motion is clocked in tens to thousands of attoseconds, (1 as =10-18 sec) implying the potential for executing basic electronic operations in the PHz regime and beyond. This is approximately ~1000000 times faster as compared to any contemporary technology.
To meet this challenging goal, this project will utilize conceptual and technological advances of attosecond science as its primary tools. First, pulses of light, the fields of which can be sculpted and characterized with attosecond accuracy, for triggering as well as for terminating the ultrafast electron motion in an atom or a molecule. Second, attosecond pulses in the extreme ultraviolet, which can probe and frame-freeze the created electron motion, with unprecedented resolution, and determine the direction and the magnitude of the created currents.
This project will interrogate the limits of the fastest electronic motion that light fields can trigger as well as terminate, a few hundreds of attoseconds later, in an atom or a molecule. In this way it aims to explore new routes of atomic and molecular scale electronic switching at PHz frequencies.
Max ERC Funding
1 262 000 €
Duration
Start date: 2010-12-01, End date: 2016-11-30
Project acronym AUTO-EVO
Project Autonomous DNA Evolution in a Molecule Trap
Researcher (PI) Dieter Braun
Host Institution (HI) LUDWIG-MAXIMILIANS-UNIVERSITAET MUENCHEN
Call Details Starting Grant (StG), PE3, ERC-2010-StG_20091028
Summary How can we create molecular life in the lab?
That is, can we drive evolvable DNA/RNA-machines under a simple nonequilibrium setting? We will trigger basic forms
of autonomous Darwinian evolution by implementing replication, mutation and selection on the molecular level in a single
micro-chamber? We will explore protein-free replication schemes to tackle the Eigen-Paradox of replication and translation
under archaic nonequilibrium settings. The conditions mimic thermal gradients in porous rock near hydrothermal vents on the
early earth. We are in a unique position to pursue these questions due to our previous inventions of convective replication,
optothermal molecule traps and light driven microfluidics. Four interconnected strategies are pursued ranging from basic
replication using tRNA-like hairpins, entropic cooling or UV degradation down to protein-based DNA evolution in a trap, all
with biotechnological applications. The approach is risky, however very interesting physics and biology on the way. We will:
(i) Replicate DNA with continuous, convective PCR in the selection of a thermal molecule trap
(ii) Replicate sequences with metastable, tRNA-like hairpins exponentially
(iii) Build DNA complexes by structure-selective trapping to replicate by entropic decay
(iv) Drive replication by Laser-based UV degradation
Both replication and trapping are exponential processes, yielding in combination a highly nonlinear dynamics. We proceed
along publishable steps and implement highly efficient modes of continuous molecular evolution. As shown in the past, we
will create biotechnological applications from basic scientific questions (see our NanoTemper Startup). The starting grant will
allow us to compete with Jack Szostak who very recently picked up our approach [JACS 131, 9628 (2009)].
Summary
How can we create molecular life in the lab?
That is, can we drive evolvable DNA/RNA-machines under a simple nonequilibrium setting? We will trigger basic forms
of autonomous Darwinian evolution by implementing replication, mutation and selection on the molecular level in a single
micro-chamber? We will explore protein-free replication schemes to tackle the Eigen-Paradox of replication and translation
under archaic nonequilibrium settings. The conditions mimic thermal gradients in porous rock near hydrothermal vents on the
early earth. We are in a unique position to pursue these questions due to our previous inventions of convective replication,
optothermal molecule traps and light driven microfluidics. Four interconnected strategies are pursued ranging from basic
replication using tRNA-like hairpins, entropic cooling or UV degradation down to protein-based DNA evolution in a trap, all
with biotechnological applications. The approach is risky, however very interesting physics and biology on the way. We will:
(i) Replicate DNA with continuous, convective PCR in the selection of a thermal molecule trap
(ii) Replicate sequences with metastable, tRNA-like hairpins exponentially
(iii) Build DNA complexes by structure-selective trapping to replicate by entropic decay
(iv) Drive replication by Laser-based UV degradation
Both replication and trapping are exponential processes, yielding in combination a highly nonlinear dynamics. We proceed
along publishable steps and implement highly efficient modes of continuous molecular evolution. As shown in the past, we
will create biotechnological applications from basic scientific questions (see our NanoTemper Startup). The starting grant will
allow us to compete with Jack Szostak who very recently picked up our approach [JACS 131, 9628 (2009)].
Max ERC Funding
1 487 827 €
Duration
Start date: 2010-08-01, End date: 2015-07-31
Project acronym BIO2CHEM-D
Project Biomass to chemicals: Catalysis design from first principles for a sustainable chemical industry
Researcher (PI) Nuria Lopez
Host Institution (HI) FUNDACIO PRIVADA INSTITUT CATALA D'INVESTIGACIO QUIMICA
Call Details Starting Grant (StG), PE4, ERC-2010-StG_20091028
Summary The use of renewable feedstocks by the chemical industry is fundamental due to both the depletion of fossil
resources and the increasing pressure of environmental concerns. Biomass can act as a sustainable source of
organic industrial chemicals; however, the establishment of a renewable chemical industry that is
economically competitive with the present oil-based one requires the development of new processes to
convert biomass-derived compounds into useful industrial materials following the principles of green
chemistry. To achieve these goals, developments in several fields including heterogeneous catalysis are
needed. One of the ways to accelerate the discovery of new potentially active, selective and stable catalysts is
the massive use of computational chemistry. Recent advances have demonstrated that Density Functional
Theory coupled to ab initio thermodynamics, transition state theory and microkinetic analysis can provide a
full view of the catalytic phenomena.
The aim of the present project is thus to employ these well-tested computational techniques to the
development of a theoretical framework that can accelerate the identification of new catalysts for the
conversion of biomass derived target compounds into useful chemicals. Since compared to petroleum-based
materials-biomass derived ones are multifuncionalized, the search for new catalytic materials and processes
has a strong requirement in the selectivity of the chemical transformations. The main challenges in the
project are related to the high functionalization of the molecules, their liquid nature and the large number of
potentially competitive reaction paths. The requirements of specificity and selectivity in the chemical
transformations while keeping a reasonably flexible framework constitute a major objective. The work will
be divided in three main work packages, one devoted to the properties of small molecules or fragments
containing a single functional group; the second addresses competition in multiple functionalized molecules;
and third is dedicated to the specific transformations of two molecules that have already been identified as
potential platform generators. The goal is to identify suitable candidates that could be synthetized and tested
in the Institute facilities.
Summary
The use of renewable feedstocks by the chemical industry is fundamental due to both the depletion of fossil
resources and the increasing pressure of environmental concerns. Biomass can act as a sustainable source of
organic industrial chemicals; however, the establishment of a renewable chemical industry that is
economically competitive with the present oil-based one requires the development of new processes to
convert biomass-derived compounds into useful industrial materials following the principles of green
chemistry. To achieve these goals, developments in several fields including heterogeneous catalysis are
needed. One of the ways to accelerate the discovery of new potentially active, selective and stable catalysts is
the massive use of computational chemistry. Recent advances have demonstrated that Density Functional
Theory coupled to ab initio thermodynamics, transition state theory and microkinetic analysis can provide a
full view of the catalytic phenomena.
The aim of the present project is thus to employ these well-tested computational techniques to the
development of a theoretical framework that can accelerate the identification of new catalysts for the
conversion of biomass derived target compounds into useful chemicals. Since compared to petroleum-based
materials-biomass derived ones are multifuncionalized, the search for new catalytic materials and processes
has a strong requirement in the selectivity of the chemical transformations. The main challenges in the
project are related to the high functionalization of the molecules, their liquid nature and the large number of
potentially competitive reaction paths. The requirements of specificity and selectivity in the chemical
transformations while keeping a reasonably flexible framework constitute a major objective. The work will
be divided in three main work packages, one devoted to the properties of small molecules or fragments
containing a single functional group; the second addresses competition in multiple functionalized molecules;
and third is dedicated to the specific transformations of two molecules that have already been identified as
potential platform generators. The goal is to identify suitable candidates that could be synthetized and tested
in the Institute facilities.
Max ERC Funding
1 496 200 €
Duration
Start date: 2010-10-01, End date: 2015-09-30
