Scientific Programme

All lectures will take place in the Exchange Building, and lecture theatres will be clearly signposted.

Monday 15 April, 2019

11:00
Registration Opens for Young Crystallographers Group (YCG) Meeting [Registration is open 11.00 - 18.00]

13:00 - 14:30 - YCG Research Talks (Lecture Theatre 2)
Chairs: Natalie Tatum and Tom Roseveare

13:00 - 13:30
Plenary: John McGeehan (University of Portsmouth)
Structure-led engineering of enzymes for deconstructing plastics

13:30 - 13:45
AD Cowan (Walter and Eliza Hall Institute)
The first crystal structures of BAK in complex with lipid offer novel insights into oligomerisation and membrane permeabilisation

13:45- 14:00
P Payne (University of Bath)
Control of solid form and particle morphology using additives and crystallisation conditions

14:00- 14:15
A Ebrahim (University of Essex/Diamond Light Source)
The development of crystallographic methods for synchrotrons and XFELs

14:15 - 14:30
HI Gonev (Diamond Light Source)
The effects of additives on the formation and crystal structure of biomimetic calcium carbonate

14.30 - 15.00 - Coffee Break

15:00 - 16:00 - YCG Research Talks (Lecture Theatre 2)
Chairs: Natalie Tatum and Tom Roseveare

15:00 - 15:15
EM Dodd (University of Southampton)
How does fluorine substitution influence non-covalent interactions? Using high resolution data and quantum crystallography to characterise non-covalent interactions in fluorine-containing organic compounds

15:00 - 15:15
KGX Rowlinson (University of Oxford)
Disorder in deoxycholic acid inclusion compounds: a solid state NMR & crystallographic study

15:15 - 15:30
AH Abdeldaim (University of Liverpool)
Large Easy Axis Anisotropy in the One-Dimensional Anhydrous Alum BaMo(PO4)2

15:15 - 15:30
RJ Young (University of Nottingham)
Trapping site isolated photoproducts in metal-organic frameworks

16:00 - 16:30 - Break

16:30 - 17:15 - YCG Research Talks (Lecture Theatre 2)
Chairs: Natalie Tatum and Tom Roseveare

16:30 - 16:45
JN Grima-Cornish (University of Malta)
Auxeticity in boron arsenate

16:45 - 17:00
D Bates (University of Liverpool)
Magnetic bistability:  The Radical/Dimer interconversion of naphtho-1,3,2-dithiazolyl

17:00 - 17:15
KN Freeman (The University of Edinburgh)
Host-guest structures in Bi-Te compounds at high pressure

17:15 - 17:45 - YCG Annual General Meeting (Lecture Theatre 2)

18:30 - 19:00 - Flash Presentations (Lecture Theatre 2)
Chairs: Charlie Mcmonagle/Stephen Dodsworth

19:00 - 21:00
Poster Session with dinner and wine

Tuesday 16 April, 2019

08.00
Registration opens for Main Meeting

08:45 - 11:00 - YCG Research/Outreach Talks (Lecture Theatre 2)
Chairs: Elliot Carrington/Rachel Wilkinson

09:00 - 09:30 - PARKIN LECTURE (Lecture Theatre 2)
Chairs: Elliot Carrington and Rachael Wilkinson
Hamish Yeung (University of Oxford)

Getting hands-on with framework materials

09:30- 11.10 YCG/CCG - Galvanising science through outreach and Social media (Lecture Theatre 2)
Chair: Rachael Wilkinson

09:30- 09:45
CJE Davies (CCDC)
Inspiring others through the wonders of crystallography and the periodic table

09:45 - 10:05
Keynote: Dr Christine Beavers (Diamond Light Source)
Scientists, science communication & social media: is all this worth it?

10:05 - 10:35
Plenary: Tim Easun (Cardiff University)
Virtually a MOF? Public engagement with metal-organic frameworks using 3D toys and VR games

10:35 - 11:10
Open Outreach Discussion

11:10 - 11:30 - Coffee Break

MAIN MEETING

11:30 -12:15 - LONSDALE LECTURE (Lecture Theatre 3)
Chair: Elliot Carrington
Professor George Sheldrick (University of Gottingen)

SHELXT - dual space structure determination using the phases to determine the space group

12:15 - 13:30 - Lunch Break and Exhibition

13:30 - 14:15 - CCG PLENARY (Lecture Theatre 3)
Chair: Ian Oswald
Carl Henrik Görbitz (University of Oslo)

Slippery when hot: temperature-induced sliding phase transitions in amino acid crystals

14:20 - 15:50 - BSG: Novel Data Collection Strategies (Lecture Theatre 1)
Chair: Ramona Duman

14:20 - 14:50
Keynote: Dr. Florent Cipriani (EMBL Grenoble)
Opening the shortest path from crystal to data with CrystalDirectT and NewPi

14:50- 15:10
EV Beale (Diamond Light Source)
VMXm: a new micro/nanofocus macromolecular crystallography beamline at Diamond

15:10- 15:30
A Butryn (Diamond Light Source)
Dynamic structural biology at Diamond and XFELs

15:30 - 15:50
S Horrell (University of Hamburg)
No goniometer? No problem. Novel data collection methods at P14 T-ReXX


14:20 - 15:50 - CCG: I didn't know that CCDC Mercury could do that! (Lecture Theatre 3)
Chair: Anuradha Pallipurath

14:20 - 14:50
Keynote: Helen Blade (AstraZeneca)
Got a crystal structure - so what!

14:50- 15:10
Dr Elna Pidcock (CCDC)
Exploring mercury

15:10- 15:23
JH Pickering (University of Leeds)
VisualHabit

15:23 - 15:36
M Reeves (The University of Edinburgh)
The CSD Python API: unlocking new possibilities in computational crystallography

15:36 - 15:50
L Vella-Zarb (University of Malta)
On solvates, solubility and statistics: how mercury really did that

14:20 - 15:50 - PCG: Local Structure Probes (Lecture Theatre 2)
Chair: Helen Playford

14:20 - 14:50
Keynote: Dr Karen Johnson (Durham University)
Probing ion mobility mechanisms in solid electrolytes using solid-state NMR spectroscopy

14:50- 15:10
M Moore (Royal Holloway, University of London)
My fifty years of diamond diffraction

15:10- 15:30
TA Bird (University of Warwick)
Understanding negative thermal expansion in ScF3 and CaZrF6 from local structure

15:30 - 15:50
EH Wolpert (University of Oxford)
Understanding the structural disorder in nickel cyanide using 1D statistical mechanical models

15:50 - 16:35 - Coffee Break and Exhibition Viewing

16:35 - 18:05 - BSG: Complementary Structural Biology Techniques (Lecture Theatre 1)
Chair: James Garnett

16:35 - 17:05
Keynote: Dimitri Svergun (EMBL Hamburg)
Small angle x-ray scattering on macromolecular solutions: progress and perspectives

17:05 - 17:25
JRC Muniz (Sao Carlos Institute of Physics, University of Sao Paulo)

The use of biophysical techniques applied to the structural characterization of carbohydrate-active enzymes with biotechnological applications

17:25 - 17:45
E Main (Queen Mary University of London)
Scalable geometrically designed protein cages assembled via genetically encoded split Inteins

17:45 - 18:05
C Waudby (UCL)

Dissecting the interactions of emerging nascent chains with the ribosome surface using NMR spectroscopy

16:35 - 18:05 - CCG: Neat Structures (Lecture Theatre 3)
Chair: Lucy Saunders

16:35 - 17:05
Keynote: Michaele Hardie (University of Leeds)
Metallo-supramolecular assemblies from cavitand ligands

17:05 - 17:21
MF Haddow (Heriot-Watt University)
Interconversions between trigonal pyramidal and trigonal planar geometries in three-coordinate rare earth complexes in the solid state

17:21 - 17:37
MA Little (University of Liverpool)
Organic cage clathrates exhibiting guest-enhanced multiphoton harvesting

17:37 - 17:53
HJ Shepherd (University of Kent)
Fundamental aspects of spin crossover materials: spatiotemporal dynamics and mechanical properties

17:37 - 17:53
BH Williams (Diamond Light Source)
Don't overcook it - data collection strategies on beamline I19 at Diamond Light Source

16:35 - 18.05 - IG/PCG: Structures of alloys and glass (Lecture Theatre 2)
Chairs: Tony Bell and Lewis Owen

16:35 - 17:05
Keynote: Paul Bingham (Sheffield Hallam University)
Advanced spectroscopy of glasses for radioactive waste immobilisation


13:30 - 14:15 - PCG PLENARY (Lecture Theatre 3)
Chair: Anthony Phillips
Professor Igor Levin (NIST)
Data fusion for determining atomic order on the nanoscale via the reverse Monte Carlo method

19:00 - 21:00 - Poster Session with Buffet and wine

Wednesday 17 April, 2019

08:00
Registration opens for Main Meeting

08:45 - 09:30 - IG PLENARY (Lecture Theatre 3)
Chair: Helen Blade
Professor Kevin Roberts (University of Leeds)

The crystallisation structural pathway of para amino benzoic acid: from solvated molecule through solute clustering an nucleation to the growth of facetted crystals


09:30-10:15 -
Coffee break and Exhibition viewing


10:15 - 11:45 - BSG: Novel Crystallisation Strategies (Lecture Theatre 1)
Chair: Claire Naylor

10:15 - 10:45
Keynote: Apirat Chaikuad (Goethe University, Frankfurt)
Lessons learnt at SGC: optimisation of experimental design and alternative repurposing of old-shelf chemicals as a novel crystallisation strategy

10:45- 11:05
CY Huang (Paul Scherrer Institute)
In situ serial crystallography for rapid de novo membrane protein structure determination

11:05 - 11:25
W Jiang (Uppsala University)
From spider silk to fimbrial adhesins: crystallisation techniques that boost biological discov
ery


10:15 - 11:45 - PCG: Energy Materials (Lecture Theatre 3)
Chair: Tony West and Paz Vaqueiro

10:15 - 10:45
Keynote: Dr Eddie Cussen (University of Sheffield)
Synthesis. characterisation and optimisation of new fast ion conducting phases as battery materials

10:45 - 11:05
J Auckett (Durham University)
Implications of disorder for oxide-ionic conductivity in Ba3NbMO8.5 (M=Mo,W)

11:05- 11:25
A Powell (University of Reading)
Structures and properties of kesterite-type quaternary chalcogenides

11:25 - 11:45
AR West (University of Sheffield)
Redox-active oxides in yttria-stabilised zirconia


10:15 - 11:45 - IG: Surfaces (Lecture Theatre 2)
Chair: Tony Bell

10:15 - 10:45
Keynote: Dr Linda Seton (Liverpool John Moores)
Crystal growth surfaces: a journey through space and time

10:45 - 11:15
Keynote: Professor Mike Anderson (Centre for Nanoporous Materials)
CrystalGrower - a new Monte Carlo program for simulation of crystal growth

11:15- 11:35
A Pallipurath (University of Leeds)
Chemical understanding of organic crystal surfaces: a polarised Raman and computational study of the crystal facets of aspirin


11:45 - 12:45 - Lunchbreak and Exhibition

12:15 - 12:45 - BSG Annual General Meeting (Lecture Theatre 1)
12:15 - 12:45 - PCG Annual General Meeting (Lecture Theatre 3)
12:45 - 13:15 - CCG Annual General Meeting (Lecture Theatre 2)

13:15 - 14:45 - Early Career Prize Lectures (Lecture Theatre 3)
Dr Paul Elliot (University of Oxford)

14:45 - 15:30 - Coffee Break and Exhibition Viewing

15:30 - 17:00 - BSG Computational Structural Biology (Lecture Theatre 1)
Chair: Shozeb Haider

15:30 - 16:00
Keynote: Dr Gianni de Fabritiis (GRIB Barcelona)
PlayMolecule: Computation in structural biology and drug design

16:00- 16:20
G Bottegoni (University of Birmingham)
In silico polypharmacology

16:20 - 16:40
A Fornili (Queen Mary University of London)
Computational modelling of mechano-pockets in proteins

16:40- 17:00
S Velankar (Protein Data Bank in Europe: EMBL-EBI)
PDBe Knowledge Base (PDBe-KB) - infrastructure for FAIR structural and functional annotations


15:30 -17:00 - CCG: Chemistry of Voids (Lecture Theatre 3)
Chair: Hamish Yeung

15:30 - 16:00
Keynote: Kim Jelfs (Imperial College London)
Computational discovery of porous molecular materials

16:00- 16:20
FCN Firth (University of Cambridge)
Using defect engineering to create new crystallographic phases of UiO family MOFs

16:20 - 16:40
P Bombicz (Hungarian Academy of Sciences)
Conditions of ionic hydrogen-bonded organic framework formation

16:40- 17:00
S Hodgkiss (University of Liverpool)
Developing rapid powder diffraction analysis for efficient characterisation of new materials


17:10 - 18:00 - BCA PRIZE LECTURE (Lecture Theatre 3)
Chair: Simon Phillips

Professor Clare Grey (University of Cambridge)
Developing and Optimising the Function of Li-ion and “beyond-Li” Batteries and Supercapacitors by Advanced Characterization Methods

18:00 - 19:00 - BCA Annual General Meeting

19:30 onwards
 Conference Dinner followed by ceilidh

Thursday 18 April, 2019

08:00
Registration opens - [Registration open 08.00 – 12.00]

08:45 - 09:30 - BSG PLENARY (Lecture Theatre 3)
Chair: tbc
Professor Liz Carpenter (University of Oxford)

Understanding the causes of genetic diseases through structural biology of human membrane proteins

10:15 - 11:45 - BSG: Multi-techniques for solving large macro molecular structures (Lecture Theatre 1)
Chair: Christos Savva

10:15 - 10:45
Keynote: Professor Carolyn Moores (Birkbeck College)
Molecular strategies for regulating microtubule dynamics

10:45 - 11:05
M Pal (University of Sussex)
Cryo-EM structure of the R2TP complex, a co-chaperone of HSP90

11:05- 11:25
L Fairall (University of Leicester)
Architecture of the MiDAC histone deacetylase complex

11:25 - 11:45
A Ilangovan (Queen Mary University of London)
Structure and mechanistic insights into F/R1 plasmid conjugative relaxase


10:15 - 11:45 - CCG: Crystallography in Chemical Research (Lecture Theatre 3)
Chair: Helena Shepherd

10:15 - 10:45
Keynote: Lee Brammer (University of Sheffield)
Crystallographyas the central pathway for chemical research

10:45 - 11:05
JK Cockroft (UCL)
Tackling challenging problems in chemical crystallography

11:05- 11:25
HHM Yeung (University of Oxford)
Pressure-induced metallicity, metal-metal bond formation and negative linear compression in a single component molecular conductor

11:25 - 11:45
D Micallef (University of Malta)
A study on the structure and chemistry di-λ5σ4-phosphorane compounds

 

10:15 - 11:45 - PCG: Magnetic Structures (Lecture Theatre 2)
Chair: John Claridge

10:15 - 10:45
Keynote: Sian Dutton (Cavendish Laboratory, Cambridge)
Magnetic and Magnetocaloric properties of lanthanide garnets

10:45 - 11:05
MJ Cliffe (University of Nottingham)
Magnetic structures of thiocyanate frameworks

11:05- 11:25
K Tustain (University of Liverpool)
Nuclear and magnetic structures of the frustrated quantum antiferromagnet barlowite, Cu4(OH)6FBr

11:25 - 11:45
PJ Saines (University of Kent)
Magnetic structure of LnOHCO3 frameworks: optimising magnetocaloric properties through magnetic interaction

11:45 - 12:00 - Coffee Break and Exhibition Viewing

12:00 - 13:30 - BSG (joint with RaMP): EU Network for rationalising membrane protein crystallisation (Lecture Theatre 1)
Chair and Introduction: Claudia Stohrer and Cristina Cecchetti

12:00 - 12:30 
Keynote: Adrian Goldman (University of Leeds)
Progress towards novel inhibitors of protozoan parasites: lessons from EU consortia

12:30 - 12:50
J Strauss (University of Leeds)
A rational approach to stabilise membrane proteins for structural studies

12:50 - 13:10
S Hjorth-Jensen (Aarhus University)
Proton pumping in sarcoplasmic reticulum Ca2+-ATPase studied by neutron crystallography

12:00 - 13:30 - PCG/YCG: In situ methods (Lecture Theatre 3)
Chairs:
Hamish Yeung and Tom Wood

12:00- 12:30
Keynote: Dr Steve Hull (The ISIS Facility)
Neutron diffraction studies of energy materials

12:30- 12:50
LE Wayment (University of Bath)
In situ x-ray diffraction analysis of continuous segmented flow crystallisation at Diamond Light Source

12:50- 13:10
AE Phillips (Queen Mary University of London)
Formate frameworks under pressure: decoupling topology and coordination geometry

13:10- 13:30
CJ McMonagle (Newcastle University)
Reducing the background of ultra-low temperature x-ray diffraction data through new methods and advanced materials

12:00 - 13:30 - PCG: Topologically Interesting Materials (Lecture Theatre 2)
Chair: Alex Gibbs

12:00- 12:30
Keynote: Professor MG Vergniory (Donostia International Physics Center)
Realisation of topologically protected magnetic exchange

12:30- 12:50
JR Soh (University of Oxford)
An ideal Weyl semimetal induced by magnetic exchange

12:50- 13:10
QD Gibson (University of Liverpool)
Chemical concepts and building blocks for topological materials

13:10- 13:30
F Pomiro (University of Warwick)
Phase transitions in the hybrid improper ferroelectric Ca2.15Sr0.85Ti2O7 Ruddlesden-Popper perovskite

13:30
Close of BCA Spring Meeting 2019


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