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BCA Spring Meeting
2004
University of Manchester Tuesday 6 March to Thursday 8 April 2004 |
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BCA Spring Meeting
2004
University of Manchester Tuesday 6 March to Thursday 8 April 2004 |
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(Last updated 18 March 2004)
Introduction
The scientific sessions for the 2004 BCA Meeting will again concentrate on "hot-topics" in the field of crystallography. The main theme and Plenary Session is on Catalysis: from Metals to Macromolecules, this will lead into two sub-themes on Molecules in Medicine covering both chemical and biological aspects and Catalysis in Industry. There will be sessions on Small Angle X-ray Scattering, which will include a lecture on calibration, thus offering a good introduction to this subject and an indication of the pitfalls. Similarly Incommensurate Structures will be covered with sessions and a workshop. Another topic of importance to all crystallographers is The Use of International Tables. The emphasis will be on symmetry, for those interested in a deeper insight, this will be followed by a session on The Use of International Tables: Advanced Aspects of Symmetry. There will be other more specialized sessions including Non-Bonded Interactions, Methods in Macromolecular Crystallography, and Instrument Calibration as well as workshops on the practical use of MSD Databases and the CRYSTALS software suites. There will be a Special Interest Group session on Diamond that should be of interest to a large proportion of the crystallographic community.
The Bragg Lecture will be incorporated into the UMIST BCA as well as the Dorothy Hodgkin Prize Lecture. The Prize Lectures for the Physical and Chemical Crystallography Groups will take place as usual, as well as the general Poster Sessions. Prior to the main meeting there will be sessions organized by the Young Crystallographers and this will include the oral poster sessions as well as the Kathleen Lonsdale Lecture.
An overview of the scientific program is given in the timetable.
Plenary Session: Catalysis: from Metals to Macromolecules
Tuesday 6 April, 11:00 - 12:30 & 13:30 - 15:00 (Room C2)
Chair: Paul Fewster (PANalytical)
The conference is opened with the plenary session and there are four speakers covering the theme "Catalysis: from Metals to Macromolecules".
Detailed Programme
11:02 James Naismith (St Andrews) - Activation of Inorganic Fluoride
11:45 (Short Break)
11:47 Guy Orpen (Bristol) - Structural Systematics of Phosphine Ligands for Homogeneous Catalysis
12:30 (Lunch & Exhibition)
13:30 Jim Kaduk (BP Amoco Chemicals, USA) - Extra Framework Species in Zeolite Y at Non-Ambient Conditions
14:14 (Short Break)
14:16 Philip Woodruff (Warwick & FHI Berlin) Surface Crystallography and its Relation to Catalysis
Prize & Named Lectures
The Spring Meeting of the British Crystallographic Association regularly has a number of prize and named lectures to recognise the achievements of both young and established crystallographers. In 2004 at Manchester, there will be a Kathleen Lonsdale lecture at the Young Crystallographer session, a Bragg lecture, and the Dorothy Hodgkin Prize lecture, together with prize lectures in chemical and physical crystallography sponsored by CCDC and PANalytical, respectively. The various lectures are listed below in date and time order:
Young Crystallographers Session: Kathleen Lonsdale Lecture
Monday 5 April, 18:00 - 19:00 (Room ?)
Detailed Programme
Plenary Session: The Bragg Lecture
Tuesday 6 April, 15:30 - 16:35 (Room C2)
Chair: John Helliwell (Manchester)
Detailed Programme
15:35 John Finney (UCL) - Beyond Bragg's Law: Crystallography without a Lattice
Parallel Session: PCG and CCG Prize Lectures
Wednesday 7 April, 15:30 - 16:30 (Room C2)
Chairs: Pamela Thomas (PCG) and Sandy Blake (CCG)
This session sees the presentation of the PANalytical Prize and the CCDC / CCG Prize, both for outstanding young crystallographers. The award presentations are followed by the Prize lectures.
Detailed Programme
16:00 The CCDC / CCG Prize for Younger Scientists:
Plenary Session: Dorothy Hodgkin Prize Lecture
Wednesday 7 April, 17:30 - 18:30 (Room C2)
Chair: Chick Wilson (RAL and Glasgow)
Detailed Programme
Plenary Session: Diamond SIG
Tuesday 6 April, 16:40 - 18:00 (Room C2)
Chair: Paul Raithby (Bath)
As anyone who has recently visited the Rutherford Appleton Laboratories will know, construction for Diamond is now well under way: the foundations are built and the steel framework for the ring and main buildings are being rapidly assembled (e.g. see the photographs in the March edition of Crystallography News).
The plenary session will provide an update on the development of beamlines that are of interest to the crystallographic community, and include a discussion of the lines that have been approved and of those that are currently under consideration. The session will end with an open discussion on matters of general interest with respect to Diamond.
Detailed Programme
17:10 Liz Duke (Diamond Light Source) - Plans for the Macromolecular Crystallography Beamlines on Diamond
17:40 General Discussion
Parallel Session: Molecules in Medicine
Wednesday 7 April, 8:30 - 10:00 (Room C2)
Chair: Christine Cardin (Reading)
Molecules in medicine is a theme that cuts across both biological and chemical crystallography. The early morning session is therefore a joint session on this subject, and this is followed by individual sessions on biomolecules in medicine and chemical aspects of this subject.
Detailed Programme
09:15 Gary Parkinson (London) - Diverse DNA Structures and Ligand Design in Cancer Therapeutics
Parallel Session: Biomolecules in Medicine
Wednesday 7 April, 10:30 - 12:00 (Room H11)
Chair: T.B.A.
Detailed Programme
11:00 T.B.A.
11:30 T.B.A.
Parallel Session: Molecules in Medicine: Chemical Aspects
Wednesday 7 April, 10:30 - 12:00 (Room C2)
Chair: Jonathan Charmant (Bristol)
Detailed Programme
11:00 Carl Schwalbe (Aston) - From Small Molecule Structures to Medicines
11:30 Bill David (ISIS) - In-Situ Dehydration Studies of Pharmaceutical Compounds
Parallel Session: Methods in Macromolecular Crystallography
Wednesday 7 April, 13:00 - 14:30 (Room H11) & 15:00 - 16:20 (Room H11)
Chairs: T.B.A.
One of themes chosen by the Biological Structures Group this year is methods in macromolcular crystallography.
Detailed Programme
13:30 J Hadden (Leeds) - Protein Crystallisation: Techniques Makeover
14:00 Martin Walsh (MRC-France, ESRF) - The Changing Face of Macromolecular Data Collection
14:30 (Tea & Exhibition)
15:00 T.B.A. -
15:30 T.B.A. -
16:00 T.B.A. -
Parallel Session: Incommensurate Structures
Wednesday 7 April, 8:30 - 10:00 (Room D7) & 10:30 - 12:00 (Room C2)
Chairs: Ivana Radosavljevic-Evans (Durham) & Pam Thomas (Warwick)
One of themes chosen by the physical crystallography group this year is incommensurate structures - some crystallographers like them and others hate them, perhaps because they find them difficult to understand or model? There are two lecture sessions followed by the workshop in the afternoon on this more advanced topic in crystallography.
Detailed Programme
09:15 Vaclav Petricek (Academy of Sciences, Czech Republic) - Some Practical Aspects of Structure Analaysis of Modulated and Composite Structures
10:00 (Coffee & Exhibition)
10:30 Kenneth Harris (Birmingham / Cardiff) - Fundamental and Applied Aspects of Incommensurate Urea Inclusion Compounds
11:00 Clivia Hejny (Edinburgh) - Incommensurate Structures in Elements at High Pressure
11:30 Rob Hooft (Bruker-Nonius) - A Hexagonal Monster?
Parallel Session: Incommensurate Structures Workshop
Wednesday 7 April, 13:00 - 14:30 (PC Room)
Session leader : Vaclav Petricek (Academy of Sciences, Czech Republic)
The workshop will be a demonstration of the Jana software package for the refinement of incommensurate crystal structures.
Parallel Session: Instrument Calibration: How to be a Star!
Wednesday 7 April, 8:30 - 10:00 & 10:30 - 12:00 (Room D2)
Chair: Jeremy Karl Cockcroft (Birkbeck College)
One of the themes chosen by the Industrial Group this year is on the theme of collecting ICDD * quality data, a pertinent subject for those working with powder diffractometers in both industry and academia. The session kicks off with an introductory session to explain the criteria of a "star" (*) quality pattern in the Powder Diffraction File (PDF), a description of the procedure and requirements for submitting new "star" patterns to the database, and a look at the checks needed to ensure that your equipment gives "star" quality data and the standards and tools that can help you.
Detailed Programme
09:30 Manfred Kreichbaum (Austrian Academy of Sciences) - Aspects of Calibration in SAXS
10:00 (Coffee & Exhibition)
10:30 Steve Norval (ICI plc) - The European XRPD Standard
11:00 Martin Vickers (Birkbeck College) - Lined-Up or Spot-On? The Ups and Downs of Diffractometer Alignment
11:20 Judith Shackleton (Manchester) - Calibration of Residual Stress Diffractometers with Particular Reference to Curved Specimens
11:40 David Beveridge (Ilford Imaging UK Ltd.) - Calibration for Silver Halides
Parallel Session: Small Angle Scattering
Wednesday 7 April, 13:30 - 15:00 (Room C2) &
Thursday 8 April, 10:30 - 12:00 (Room C2) &
13:00 - 14:30 (Room H11)
Chairs: Richard Morris (Huntsman Surface Sciences) & Mary Vickers (Cambridge)
Departing from the theme of powder diffraction this year, the Industrial Group has organised a session on small angle scattering, an especially useful technique for studying systems where the particles are too small or insufficiently crystalline for powder diffraction methods.
Detailed Programme on Wednesday:
13:50 Manfred Kreichbaum (Austrian Academy of Sciences) - X-Ray Time-Resolved SAXS-Measurements - Structure Research at Synchrotrons
14:10 Mary Vickers (Cambridge) - SAXS Snippets: Solid Polymers to Particles in Solution
14:30 Andrew Harrison (Edinburgh University) - In Situ Diffraction Studies of Microwave-Driven Processes in Materials Chemistry and Biology
Detailed Programme on Thursday:
10:30 Dmitri Svergun (European Molecular Biology Laboratory, Hamburg Outstation) - Small-Angle Scattering Studies of Biological Macromolecules in Solution
11:00 Richard Morris (Huntsman Surface Sciences) - "He Scrubs Up Well, Doesn't He?" - New Aspects of Expanded Lamellar Surfactants - Sugar Based Exfoliates
11:20 T.B.A. (Bruker AXS) - SAXS from Multi-functional XRD Instruments
11:40 Richard Heenan (ISIS Facility, RAL) - SANS - Practicalities and Prospects
12:00 (Lunch & Exhibition)
13:00 Peter Laity (Cambridge) - Scattering from Segmented Co-polyurethanes - a Reinterpretation of SAXS Data
13:30 Mark Farnworth (Pilkington plc) - X-ray Reflectivity in the Glass Industry
14:00 Richard Clapperton (Huntsman Surface Sciences) - SAXS Interpretation of Deflocculated Vesicles - The route to Superconcentrated Detergents
Parallel Session: Catalysts in Industry
Wednesday 7 April, 15:30 - 16:30 (Room D7)
Chair: Steve Norval (ICI plc)
Continuing the plenary theme of the meeting, the Industrial Group proposes a session on "Catalysis in Industry", often a difficult subject for open discussion given the commercial secrecy involved in many areas of applied catalysis.
Detailed Programme
15:50 Steve Norval (ICI plc) - Catalysts in Situ
16:10 Justin Hargreaves University of Glasgow - Powder X-Ray Diffraction and Heterogeneous Catalysis
Parallel Session: MSD Database Services - A Practical Session
Thursday 8 April, 8:30 - 10:00 & 10:30 - 12:00 (PC Room)
Session Leaders : Session Leaders : Kim Henrick & John Tate (EBI)
Parallel Session: Use of International Tables - Symmetry
Thursday 8 April, 8:30 - 10:00 (Room C2) & 10:30 - 12:00 (Room D7)
Session Leaders : Bill Clegg (Newcastle) & Mike Glazer (Oxford)
The opening session can be regarded as a "bread-and-butter" session and is aimed mainly at younger and less experienced crystallographers. Old hands won't be excluded, but they may find it beneath them. The "jam" will be served later in the morning in a more advanced treatment of symmetry aspects.
Detailed Programme
10:00 (Coffee & Exhibition)
10:30 Mike Glazer (Oxford) - Advanced Aspects of Symmetry
Parallel Session: Non-Bonded Interactions
Thursday 8 April, 10:30 - 12:00 & 13:00 - 14:30 (Room C2)
Chair: Vanessa Hoy (Accelrys)
One of the themes put forward by the Chemical Crystallography Group this year is non-bonded interactions, a topic involving a mixture of both experimental and database research.
Detailed Programme
11:15 M Madau Babu - T.B.A.
12:00 (Lunch & Exhibition)
13:00 Andrew Parkin (Glasgow) - Probing Hydrogen Bonding using Variable Temperature Diffraction Studies
13:30 Lourdes Infantes (CCDC) - Hydrates: When are they Obtained and What are the Water Interactions in the Structure?
14:00 Jordi Bella (Manchester) - T.B.A.
Parallel Session: CRYSTALS Workshop
Thursday 8 April, 13:00 - 15:00
Organisers: David Watkin & Richard Cooper (Oxford)
The CRYSTALS Workshops attached to previous BCA (and other) meetings have proved astonishingly popular. A similar workshop has been scheduled into the Manchester meeting. It will include a brief presentation on new and changed features, followed by hands-on experience of the current release using available PCs.