recent appointees workshop - scotchem · 2019-06-28 · by combining n- and p-cofactors with...

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Page 1: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Recent Appointees Workshop

ECR Flash Presentations

Page 2: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Early Career Researchers

Page 3: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Graeme BarkerHeriot Watt University

Page 4: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Graeme Barker: Methodology

P. Beak et al., J. Am. Chem. Soc., 1991, 113, 9708

Page 5: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Graeme Barker: MedChem

core

CNB

RAP RAP

cAMP binds at interface to

stabilise active EPAC state

E. Parnell et al., Trends Phamacol. Sci., 2015, 36, 203

E. Parnell et al., Sci. Rep., 2017, 7, 294

Page 6: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Nicholle BellUniversity of Edinburgh

Page 7: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Damiano BonaccorsoUniversity of St Andrews

Page 8: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr James CumbyUniversity of Edinburgh

Page 9: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Robert EdkinsUniversity of Strathclyde

Page 10: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Photodynamic therapy

1O2

3O2

BioimagingFundamental photophysics

Sensing

Optoelectronics

Robert EdkinsUniversity of Strathclyde

Understanding optical properties of molecules

Design of new molecules for optical applications

Two-photon, FLIM & STED

@R_M_Edkins

Page 11: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Robert EdkinsUniversity of Strathclyde

Understanding optical properties of molecules

Design of new molecules for optical applications

Phthalocyanines

Inorganic Heterocycles

AcknowledgementsOrganic chromophores

Phospholes

Boroles

Pyrene derivatives

Singlet oxygenphotosensitization

@R_M_Edkins

Triarylboranes

Strong π-acceptors

Reduction to radicals

The group + funding

Photochromic imidazoles

Page 12: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Jennifer GardenUniversity of Edinburgh

Page 13: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Mairi HaddowHeriot Watt University

Page 14: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Mairi Haddow

[email protected]

Automated modellingof disordered molecules in crystal structures

Page 15: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Gordon HedleyUniversity of Glasgow

Page 16: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Gordon J. Hedley

Reducing Concentration

Single Molecule Spectroscopy

Spectra Dynamics Correlations

Organic SemiconductorsNovel carbon based materials that conduct

electricity & absorb & emit light

OLEDs now widely used as

displays in phones & TVs

Can also be used in solar cells

The photoluminescence

spectra of individual molecules

can be measured

PL dynamics on short

(nanosecond) and long (seconds)

timescales can be observed

Photon correlations tell us

how many emitters there are

and if the molecule goes ‘dark’

What limits device efficiency

Fundamental photophysical

properties of molecules

Pathways to novel materials

What Can We Learn?

Page 17: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Claire HobdayUniversity of Edinburgh

Page 18: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Aruna IvaturiUniversity of Strathclyde

Page 19: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Amanda JarvisUniversity of Edinburgh

Page 20: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

The Jarvis Group

Motivation - Sustainable Catalysis:

• Atom economic• Sustainable• Selective functionalisation

• Mild conditions • Recovery and reuse of

catalyst

School of Chemistry, University of Edinburgh, [email protected]

By combining N- and P-cofactors with cysteinemodified proteins, we have access to a large

Tool - Artificial metalloenzymes:

Combining small molecule transition metal catalysts with protein scaffolds.

Benefits of ArMs:• Control of substrate orientation – chemo, regio and

enantioselective reactions• Evolvable – high throughput optimisation• Possibility of catalysts recovery – biphasic system• Potential for in vivo catalysis, new cascades etc

Cellular factories?

www.amandajarvis.co.uk

Page 21: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

By combining N- and P-cofactors with cysteines, we have access to a large

Artificial metalloenzyme design

SCP-2L ACP

+ + Fe, Ru, Pd, Cu, Rh, Mn

= Novel enzymes for oxidation, hydroformylation, cross-coupling reactions etc

Can ArMs provide solutions where small molecules catalysts have not?

By combining N- and P-cofactors with cysteines, we have access to a large

15:85 e.r.Evolvable ArMs using genetic code

expansion to include Bipyridyalanine

Opportunities for collaboration• Biological/Homogeneous catalysis

cascades• High throughput method development• Catalyst Characterisation• New protein scaffolds

Other applications for these constructs?

Page 22: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Craig JohnstonUniversity of St Andrews

Page 23: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

mirror imageNon-superimposable

The Importance of Chirality

Dr Craig P. Johnston, Royal Society University Research Fellow, University of St Andrews

enantiomers

(S)-Naproxentreatment for arthritis

(R)-Naproxentoxic to the liver

Page 24: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Sustainable Enantioselective Catalysis

Dr Craig P. Johnston, Royal Society University Research Fellow, University of St Andrews

single enantiomerchiral

catalyst

reactionintermediate

◼ Novel chiral building blocks for organic synthesis

◼ Late-stage functionalisation of complex molecules

◼ Applications for drug/agrochemical discovery & chemical biology

Page 25: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Christopher LancefieldUniversity of St Andrews

Page 26: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Julia PayneUniversity of St Andrews

Page 27: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Marc ReidUniversity of Strathclyde

Page 28: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Bengt TegnerHeriot Watt University

Page 29: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Computational Chemistry of Surfaces and

SolidsDr Bengt Tegner

ScotCHEM Recent Appointees Workshop

Dundee V&A

17th June 2019

Page 30: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Research Portfolio

Page 31: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Drew ThomsponUniversity of Glasgow

Page 32: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr LaiaVila NadalUniversity of Glasgow

Page 33: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Laia Vilà-NadalSELF-ASSEMBLY & PROPERTIES OF METAL OXIDES

Page 34: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Dr Laia Vilà-NadalDIGITAL CHEMISTRY UofGla INITITATIVE: Collaboration with Prof Lee Cronin

Page 35: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Discussion

Page 36: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

Garden Group Research Themes

Renewable

Feedstocks

Sustainability

Catalysis

Polymers

Hetero-

metallic

Earth

Abundant

Metals

Ligand

Design

Page 37: Recent Appointees Workshop - ScotCHEM · 2019-06-28 · By combining N- and P-cofactors with cysteines, we have access to a large Artificial metalloenzyme design SCP-2L ACP + + Fe,

different metals for

different roles

Early/late transition metal catalystsMain group catalysts

Initiation mechanisms Ring-opening polymerisation

2 metals required for

catalyst activity

broad monomer scopeepoxide opening = efficient initiation

polymer materials

renewable resources

efficient catalysis

degradation

Motivation and Overview