ISSN 1467-2790 CRYSTALLOGRAPHY NEWS British Crystallography Association

No.76 March 2001

BCA Spring Meeting 8-12

People in The News 15-16

Obituary - Arnold Beevers 17-18

Making Maps of Magnetism 20

The Weirdest Known Structure of any Element 23

Quarterly Controlled Release of Drugs 24 Contents March 2001

From the President...... 2 B C Council Members...... 3 A From the Editor ...... 4 BCA Annual General Meeting 2001 ...... 4 BCA Administrative Office, Northern Networking Ltd, Bellway House, Candidates for BCA Offices ...... 5 813 South Street, Glasgow G14 0BX, Annual Report to Council (2000)...... 6 Scotland, UK Tel: + 44 141 954 4441 Fax: + 44 141 954 2656 BCA Groups (AGM details)...... 7 e-mail: [email protected] BCA Spring Meeting...... 8 – 12

NEXT ISSUE OF News Review...... 13 – 14 CRYSTALLOGRAPHY NEWS People in the News ...... 15 – 16 CRYSTALLOGRAPHY NEWS is published quarterly (March, June, Obituary - Arnold Beevers ...... 17 – 18 September and December) by the British Crystallographic Association. MSword97 documents Mechanical Stresses at ILL...... 19 (or earlier versions) or ASCII text files may be sent on a PC disk or Making Maps of Magnetism ...... 20 electronically, (only small files < 500K please, image formats JPEG, GIF). Items may include news Bursary Reports ...... 21 – 22 about people (e.g. awards, honours, retirements etc.), reports The Weirdest Known Structure of Any Element ...... 23 on past meetings of interest to crystallographers, notices of future meetings, historical reminiscences, Controlled Release of Drugs...... 24 letters to the editor, book, hardware or software reviews, Beamtime at Studsvik ...... 25 small ads, and advertisements for job vacancies in crystallography. CCG Autumn Meeting Report ...... 25 - 26 Please ensure that items for inclusion in the June 2001 issue are sent to the Editor to arrive before BCA Industrial Group Meeting Report...... 27 26th April 2001. Book Reviews...... 28 – 29

JO JUTSON, Tel: (01691) 671033 2001 ENSA/Walter Hälg Prize ...... 29 EDITOR CRYSTALLOGRAPHY NEWS, 4, Henlle Gardens, Gobowen, BCA Meetings ...... 29 – 30 Oswestry, Shropshire, SY11 3NU. e-mail: [email protected] Summary of Forthcoming Meetings ...... 30 – 31

The British Crystallographic Association is a Registered Charity (#284718) Corporate Members ...... 31

1 From the President March 2001

This newsletter may come as a The new look coincides with Jo President’s Remarks bit of a shock. It represents a Jutson taking over as new departure for the BCA and newsletter editor. We all wish was approved at the last her well in this crucial and Council meeting. Our quite difficult job. Remember – newsletter serves two main the newsletter is only as good purposes: to keep our members as its contributions. I would informed about also like to repeat my thanks to crystallographic activities in the her predecessor, Kate Crennell, UK and elsewhere, but also to for her immense efforts on advertise British crystallography behalf of the BCA. to other scientific communities. We often complain about the Last month I mentioned perception of crystallography Corporate Membership of the in many academic departments BCA as a way to proceed with a as a routine service rather than stronger partnership with an exciting subject in its own equipment manufacturers and right (These people should just software developers in scan ‘Nature’ for a few weeks crystallography. We have now to have these illusions contacted a number of shattered!), and it was felt that companies; we have had a a more professional looking number of enquiries and now Newsletter would help to have several such members enhance our image, as well as with more on the way. giving us more scope for keeping BCA members Finally, I would like to thank informed. Many other Gill Houston and her staff at organisations have taken this Northern Networking (Euan route, and they seem to be Woodward, Claire Cresswell satisfied that it is worthwhile. and Rona Munn) for their We will be printing an extra immense hard work, energy 500 copies for distribution to and efficiency in running the synchrotron sources, other BCA office. A lot of these crystallographic associations changes would have been etc. (Extra copies are very impossible without them. I also cheap to produce.) It is, know that Chris Cardin has however, an experiment for greatly appreciated their help one year; if it ends up being with the Reading Spring non-commercially viable, or Meeting. Reading is shaping up there is a lot of hostility from to be an excellent conference, members towards it, then we and I am looking forward to it. will look again. I hope to see you there.

Chris Gilmore March 2001

2 Council Members 2000 - 2001

BCA Council Members GROUP REPRESENTATIVES Editor “Crystallography News” Biological Structures Dr. Josephine Jutson, 2000 - 2001 Dr. A.Hadfield (2002), 4 Henlle Gardens, Department of Biochemistry, Gobowen, Oswestry, University of Bristol SHROPSHIRE SY11 3NU President (2003) BRISTOL BS8 1TD tel: 01691 671 033 Prof. C.J.Gilmore, tel: 0117 928 7436 [email protected] Department of Chemistry, [email protected] University of Glasgow Education Officer GLASGOW G12 8QQ Chemical Crystallography Mrs K.M.Crennell, tel: 0141 330 5947, Dr Harry Powell (2002), ‘Fortran Friends’, [email protected] MRC Lab. of Molecular Biology, P.O.Box 64, Didcot, MRC Centre, OXON OX11 0TH Vice President (2001) Hills Road tel: 01235 834 357 Dr. F.H.Allen, CAMBRIDGE CB2 2QH [email protected] Scientific Director CCDC, tel: 01223 402423 12 Union Road, [email protected] CURRENT CHAIRMEN CAMBRIDGE CB2 1EZ Biological Structures Group tel: 01223 336 425 Industrial Dr. Richard Pauptit, [email protected] Prof. C.S.Frampton (2001), Protein Structure Lab, AstraZeneca, Roche Discovery Welwyn, Mereside, Alderley Park, Secretary (2001) 40 Broadwater Road, Macclesfield SK10 4TG, Dr. H.Muirhead, Welwyn Garden City CHESHIRE UK Department of Biochemistry, HERTFORDSHIRE HL7 3AY tel: +44 (0)1625-516135 University of Bristol, tel: 01707 366272/366031 fax: +44 (0)1625-583074 BRISTOL BS8 1TD fax: 01707 366907 [email protected] tel: 0117 928 9040 [email protected] [email protected] Chemical Crystallography Group Physical Crystallography Professor A.Guy Orpen, Treasurer (2003) Dr C.C.Wilson, School of Chemistry, Mr. D.J.Taylor, Rutherford Appleton Laboratory, University of Bristol, 35 Birchley Road, ISIS Facility, BRISTOL BS8 1TS Billinge, Chilton, tel: (0117) 928 7648 Wigan, OXON OX11 0QX fax: (0117) 929 0509 LANCS WN5 7QJ tel: 01235 82 1900 ext 5137 [email protected] tel: 01744 893108 or 01235 44 5137 [email protected] [email protected] Industrial Group Dr. S.V.Norval, ORDINARY MEMBERS CO-OPTED MEMBERS ICI Research and technology Dr Margaret J. Adams (2003), Prof. P.Barnes, centre, Lab. of Molecular Biophysics, Department of Crystallography, Wilton, Rex Richards Building Birkbeck College, Malet Street, PO Box 90, South Parks Road, LONDON WC1E 7HX MIDDLESBROUGH TS90 8JE OXFORD OX1 3QU, tel: 0171 631 6817 tel: 01642 432005 tel: 01865 275391 fax: 01925 603 432 (Daresbury) fax: 01642 432 244 [email protected] [email protected] [email protected]

Webmaster Prof. M.M.Woolfson FRS (2002) Physical Crystallography Group Dr Jeremy K. Cockcroft (2003) University of York, Professor J.L. Finney, School of Crystallography, Department of Physics, Heslington, Department of Physics & Birkbeck College, YORK Y01 5DD Astronomy, Malet Street, tel: 01904 432 238 University College London, LONDON WC1E 7HX [email protected] tel: 0171 380 7850 tel: (0)20 7631 6849 fax: 0171 380 7145 [email protected] Ex-Officio Immediate Past President [email protected] Prof. A.M.Glazer (2001) Prof. Paul R. Raithby,(2003) Physics Department, Note: Department of Chemistry, Clarendon Laboratory, Dates in ( ) are when due for re- University of Bath, Parks Road, election or retirement. This list is Claverton Down OXFORD OX1 3PU also on the WWW at URL BATH BA2 7AY tel/fax: 01865 272 290 http://bca.cryst.bbk.ac.uk/BCA tel: (01225) 323183 [email protected] /admin/coun.html [email protected]

3 From the editor March 2001

This first issue of I would like to thank Kate The first issue Crystallography News for 2001 Crennell for all the help she has sees changes in printer, format given me in producing this first and editor but the content issue. Kate has been an remains similar with a mix of excellent editor for the past 5 technical articles, meeting years and is a very hard act to information and reports and follow. Now I can appreciate all BCA matters. I have been a the time and effort that must member of the BCA for about have been involved during her 12 years and served on the time as editor. Thank you to Industrial Group Committee for everyone who contributed to 7 years. I retired from full time this issue. The newsletter is employment at the end of 1999 what you the members and and by Autumn 2000 I realised contributors make it and I hope that although there were many that together we shall be able advantages in retirement it was to continue the high standard time to do something that Kate has set. constructive. At this time I was approached and asked if I would consider becoming the next editor of Crystallography News and so here I am writing Jo Jutson my first editorial. March 2001

BRITISH CRYSTALLOGRAPHIC ASSOCIATION 2001 ANNUAL GENERAL MEETING OF THE BCA

Notice is hereby given that the Annual General Meeting of the British Crystallographic Association will be held on Monday 9th April at 4.00 p.m. in the Palmer Building, Reading University

At this meeting we shall elect a require a proposer and seconder, 6. Northern Networking’s Vice-President and a Secretary. and an indication in writing that Report. The following nominations have the nominee has agreed to stand 7. Report of the Treasurer to been received. for the post. Nominee, proposer include Presentation of the and seconder should all be Accounts for 2000 and the For Vice-President current BCA members. Examining Accountant’s Professor Bill Clegg, proposed Report. Agenda Mrs Kate Crennell, seconded Dr 8. Acceptance of the Accounts 1. Approval of Agenda Frank Allen. 9. Election of Officers and 2. Apologies for absence Professor Paul Fewster, proposed Ordinary Members of 3. Minutes of the last AGM Dr Chick Wilson, seconded Council. (published in the December, Professor John Finney and Dr 10. Appointment of Examining 2000 issue of Crystallography Pam Thomas Accountant for 2001. News). 11. Any other business. For Secretary 4. Secretary’s Report to Council (published in this issue of Dr Christine Cardin, proposed Dr (It would be helpful if items for Hilary Muirhead, seconded Mr Crystallography News). inclusion under 2 and 11 of the David Taylor. Nominations by e- 5. Amendments to the Statutes Agenda could be notified to the mail should be sent to the and By-Laws (see December, Secretary before the meeting). Secretary to arrive before 2 April, 2000 issue of Crystallography 2001. Nominations for any post News). Hilary Muirhead (Hon Secretary)

4 Candidates for BCA Offices

retired as chairman in 1996 and Research Diffractometer. I for BCA the BNCC until it was dissolved. collaborate with many UK and Vice President As secretary of the PCG, I international research groups served on BCA Council, CMMP and give numerous invited and the Chemical papers around the world. I Crystallography Group have recently published a book Professor Bill Clegg, Committees. I joined the entitled X-ray Scattering from University of Newcastle Industrial Crystallography Semiconductors, (Imperial and Daresbury Laboratory Group Committee in 2000. I am College Press). very much in favour of bringing My research is mainly in the common interests of all the I would like to think that my chemical crystal structure BCA groups together. enthusiastic support for UK determination, but also After completing a PhD on science, both research and includes some synthetic work in biological structures and post- teaching in Universities and coordination chemistry. I have doctoral work, I joined Philips research in Industry would have particular interests in Research in 1981. For my work some impact on the future of developing data collection on X-ray scattering of the BCA. methods, including semiconductors I received the Paul Fewster diffractometer control, use of Paterson Medal and Prize from new X-ray sources, and the IOP in 1991 and a DSc in especially synchrotron 1994. From 1992 to 1996 I was radiation, and have led the project leader of a research project to develop station 9.8 programme across four at Daresbury. Other interests international Philips sites. I am include crystallographic presently Head of the Philips education and training. I have Analytical Research Centre and previously served on the CCG have held a visiting committee, organised the BCA professorship in physics at Spring Meeting in Newcastle in Imperial College since 1996. 1994 and a CCG session at the Over the last few years I have meeting in Leeds in 1997, and been a member of the EPSRC have been involved in the Physics Evaluation Panel, planning and teaching of the College and prioritisation C CCG intensive course every two panels, IRC Selection Panel and years since it started in 1987. I the Chartered Physicist B have lectured at several BCA Committee of the IOP. I am a A and CCG meetings since 1983. member of the Degree Accreditation Committee of the Bill Clegg IOP and on the review panel Acknowledgements for the XMAS beam-line at the ESRF. My research covers BCA Sponsors Professor Paul Fewster, materials from proteins to Philips Analytical Research The British metals, single crystal to Crystallographic Centre and Imperial College amorphous materials, Association is grateful to scattering theory and all types Birkbeck College, I have been a member of the of X-ray instrumentation. Much University of London, BCA since its formation. I of my work has been who host and manage served on the Physical developed into commercial the server for our Crystallography Group products and sold throughout Website. Committee from 1983 until I the world, e.g. the Materials

5 Annual Report to the Council (2000)

An important event this year During the year there were From the Secretary has been the appointment of several meetings and Northern Networking to run workshops. All four groups The present membership of much of the administration of have held meetings, including Council is as follows: the BCA. In addition they have ones on ‘Signal Transduction’ been closely involved in the (Birkbeck College, London), President Professor Christopher organisation of the Spring ‘Computational Tools in Gilmore Conference. Chemical Crystallography’ (SmithKline Beecham The Council has met twice Laboratory in Harlow), ‘Non Vice-President during the year: during the Ambient Diffraction Dr Frank Allen Spring Meeting at Heriot Watt Techniques’ (Birkbeck College, University, Edinburgh and at London) and ‘Artificial Secretary Birkbeck College, London in Structures’ (University of Dr Hilary Muirhead October 2000. At the AGM in Bristol). The Seventh Summer Edinburgh Professor Chris School in Protein Treasurer Gilmore was elected as Crystallography was held in Mr David Taylor President, Mr David Taylor was Bristol. elected as Treasurer and Dr Margaret Adams, Dr Jeremy Membership is healthy and Members Dr Margaret Adams Cockcroft and Professor Paul many young crystallographers Dr Jeremy Cockcroft Raithby were elected as have received BCA bursaries to Professor Paul Raithby Ordinary Members of Council. attend meetings and At the Council Meeting conferences, both in the UK Professor Paul Barnes was co- and worldwide. Group Representatives Dr Andrea Hadfield opted to serve on Council and (Biological Structures) Dr Josephine Jutson was Some good friends and Dr Harry Powell appointed as Newsletter Editor colleagues have died during (Chemical Crystallography) (from March 2001 issue). Chick the year including Paul Sigler, Professor Christopher Frampton (Industrial Group) Wilson has replaced Frank George Jeffrey and Arnold Dr Chick Wilson Allen as the BCA representative Beevers. Appreciations appear (Physical Crystallography) on the European in Crystallography News. Crystallographic Association (ECA). We are looking forward to the Co-opted Professor Michael Woolfson FRS BCA Spring Meeting at Professor Paul Barnes In 2000 four excellent quarterly Reading. The Plenary Session is issues of Crystallography News on Visualisation and the local were published. The coloured organiser is Christine Cardin. Ex officio covers are very attractive and The next BCA meeting will be Professor Michael Glazer (Immediate Past President) the Newsletter continued to held at Nottingham 25-28 Mrs Kate Crennell make a small profit. A Colour March 2002. (Editor Crystallography News Supplement on IUCrXVIII was and Webmaster) published. Kate Crennell has Hilary Muirhead (Hon Secretary) Dr Josephine Jutson (Editor Elect Crystallography been Newsletter Editor for five News) years. The BCA owes her a debt Gill Houston of gratitude both for the very (Director of Northern high standard and for the fact Networking) attends that the Newsletter makes a meetings of Council. profit.

6 BCA Groups annual general meetings

Chemical Harry Powell Industrial Group AGM Crystallography Group (Secretary/Treasurer) 2001 AGM 2001 MRC-LMB, Hills Road, Cambridge, CB2 2QH The 17th ANNUAL GENERAL The Annual General Meeting of e-mail [email protected] MEETING of the Industrial the Chemical Crystallography Group will be held at the Group will be held on Sunday Physical Crystallography University of Reading on 8th April 2001 during the BCA Group AGM 2001 Tuesday, 10th April 2001 at Spring Meeting in Reading, 12.30 pm. Nominations are starting at 12:30pm. Final The 58th Annual General sought for the position of details of the agenda, venue Meeting of the Physical chairman and for two and other details will appear Crystallography Group of the committee members to serve on the CCG web-site BCA and the Structural for three years from April 2001. (http://bca.crystal.bbk.ac.uk/BC Condensed Matter Physics Nominations, which shall be A/CCG/agm01.html). Items for Group of the IoP,to be held at proposed by not less than two inclusion in the agenda are the University of Reading, members of the Group and invited and should be sent to Sunday 8 April 2001, at 17:30 pm shall be accompanied by the the Secretary/Treasurer to be written consent of the received no later than Friday Elections to the Committee nominee, shall be sent to reach 30th March 2001. There are vacancies for up to the Honorary Secretary of the two Ordinary Members of the Group not later than seven Nominations are invited for Committee, and nominations days before the Annual each of the posts of Chairman, for these are welcomed. General Meeting. Vice-Chairman and one Nominations should be sent to Dr P Holdway, Honorary ordinary committee member. the Honorary Secretary: Secretary, A7 BLDG, DERA, Nominations must include the Farnborough, Hants, GU14 0LX. name of a proposer, a seconder Dr C C Wilson, ISIS, Rutherford Tel. 01252 393117/392159, fax. and written consent (or e-mail) Appleton Laboratory, Chilton, 01252 397223, email: from the nominee that he or Didcot, Oxon OX11 0QX; [email protected]. she is willing to stand. They email: [email protected], by should be sent so as to be Friday 9 March 2001, or as soon Biological Structures received by the Secretary not as possible thereafter. later than Friday 30th March Group AGM 2001 2001. Dr M I McMahon is currently The Annual General Meeting of co-opted as the Structural the Biological Structures Group The Chairman (Professor Guy Condensed Matter Physics will be held at the University of Orpen) and Vice-Chairman Group representative to the Reading on Monday 9th April at (Professor Paul Raithby) retire CMMP Division of IoP and 12.30 pm after two years service and are potential Committee members not eligible for re-election to who would be appropriate to the same post. One committee assume this important role are member (Dr C.C. Wilson) retires particularly welcomed. after three years service and is not eligible for re-election to the same post. All three are eligible for election to other positions. All other officers continue in office.

7 BCA Spring Meeting BRITISH CRYSTALLOGRAPHIC ASSOCIATION • SPRING MEETING THE UNIVERSITY OF READING

BRITISH CRYSTALLOGRAPHIC ASSOCIATION Spring Meeting The University of Reading 7-10 April 2001

For details of Registration and Accommodation contact Euan Woodward BCA Administrative Office Northern Networking Ltd Bellway House, 813 South Street Glasgow G14 0BX Tel: 0141 954 4441 Fax: 0141 954 2656 Email: [email protected] BRITISH CRYSTALLOGRAPHIC ASSOCIATION • SPRING MEETING THE UNIVERSITY OF READING ASSOCIATION BRITISH CRYSTALLOGRAPHIC Website: http://bca.cryst.bbk.ac.uk/BCA/meets/BCA01.html

8 BCA Spring Meeting group sessions

MONDAY 9 APRIL 09.00 - 12.30: refinement as a way of sorting Chemical CCG/PCG Joint Session (1): out disorder in a C70 structure. Advanced X-ray Sources All of the features in the GUI Crystallography toolbars, menus and dialogues, CCG Speakers: and the layout of the screen Group Sessions Professor Bill Clegg itself, are controlled by SCRIPTS, (Newcastle/Daresbury) which means that by editing a New developments in SCRIPT, the user can introduce SATURDAY 7 APRIL Synchrotron Radiation their own ideas about how the PLENARY SESSION: program should look, feel or Dr Sam Motherwell Dr Uli Arndt behave. In order to explain some (Cambridge Crystallographic (MRC-LMB, Cambridge) of these items, we plan to hold a Data Centre) Microfocus X-ray tubes for workshop at the BCA Spring Visualisation of Molecular Crystallography Meeting in Reading to include: Interactions in Crystals CRYSTALS WORKSHOP • Demonstration of recent Since CRYSTALS 2000 was developments to the program, SUNDAY 8 APRIL 09.00 - 12.30: demonstrated at Glasgow, we with special reference to CCG Session: Hot and Cold have received a lot of feed-back evaluation and validation Structures from old and new users. Some of tools. Professor Judith Howard this has been dealt with simply (Durham) by e-mail and some of it has lead • Demonstration of the tools for New Developments to improvements in the core manipulating the trial models, in Low Temperature program. including model building, Crystallography; Methodology origin shifting, TLS and Applications More operations have been regularisation, geometric automated and brought under regularisation, numbering and Dr Russell Morris (St Andrews) the control of the graphical user naming, hydrogen placement Unusual properties of Zeolites interface, and a link has been etc. Studied by Single Crystal provided to the Nonius Kccd data Synchrotron X-ray Diffraction collection software and .INS and • Explanation of how SCRIPTS .RES files. As always, developing are written, and how they can Professor Philip Coppens a graphical user interface be used to create teaching (SUNY, Buffalo) discourages new users to look aids, and to automate Combining Crystallography and into the facilities not available frequently used Photochemistry in the Study of from the GUI. Only a part of crystallographic procedures, Light-induced Metastable States CRYSTALS’s massive diversity is and Transient Species available from the GUI, and we • Hands-on experience of these are keen to make an opportunity and other features. Dr Simon Parsons (Edinburgh) to explain this diversity to a David Watkins Low temperature Crystal Growth wider audience.

Chemical Crystallography Group In addition, it is evident that TUESDAY 10 APRIL 09.00 - 12.30: Annual General Meeting (see users are intrigued by the way CCG/PCG Joint Session (2): separate notice in this issue). that the behaviour of the Diffraction at the Edge program can be tailored to meet individual needs through the CCG Speakers: SUNDAY 8 APRIL 14.00 - 17.30: macro or SCRIPT mechanism. Dr Georgina Rosair CCDC and Philips Prizes and These SCRIPTS can be used to (Heriot-Watt) Lectures followed by CCG / PCG / simplify the repeated use of Structural Chemistry from the IG Oral Poster Session and Poster procedures, or to set up long and Edge(s); an Introduction Exhibition complicated experimental calculations. For example, Alain Dr Madeleine Helliwell Penicaud, (in France) successfully (Manchester) wrote a SCRIPT to generate a At the edge of microporous series of trial models followed by materials

9 BCA Spring Meeting group sessions

Speakers: What determines the lateral Physical Mike Poole (Daresbury) coherence in an experiment – the DIAMOND design sample or the source? Crystallography Colin Norris (Leicester) Phase-contrast imaging – the Science on DIAMOND wheel re-invented? Group Sessions Bill Clegg (Newcastle) Single crystal diffraction using SR To participate in the Workshop, J Schneider (HASYLAB) register on-line at SATURDAY 7 APRIL, Free-electron laser X-ray sources http://www.isis.rl.ac.uk/ PLENARY SESSION Uli Arndt (Cambridge) Crystallography/coherence.htm Dr M.T. Dove Microfocus X-ray tubes for and gain FREE entry to the PCG (University of Cambridge) crystallography Coherence prize-quiz. {Winner Visualisation of dynamics of and prize TBA at the Workshop} disordered crystalline materials MONDAY 9 APRIL, 13.30 - 15.30 For further information, and/or SUNDAY 8 APRIL, COHERENCE WORKSHOP to contribute a discussion point, 14:00 - 15:30 In a timely bid to reflect an comment or question to the The PCG Philips Physical important trend in x-ray science, Workshop, please contact: Crystallography Award and prize the Physical Crystallography Dr. Pam Thomas, Dept of Physics, lecture, will be presented in a Group are holding a FREE* University of Warwick, joint session with the CCDC/CCG workshop on the topic of Coventry CV4 7AL prize winner. Coherence and Crystallography Tel. 02476-523354 at the Spring Meeting of the Fax. 02476-692016 SUNDAY 8 APRIL, British Crystallographic E-mail: 16:00 - 17:30 Association in Reading. [email protected] The joint PCG/CCG/IG Oral Poster Session will be held following If you are a crystallographer in *Workshop is free to registrants the award session. All poster any research area – whether of the British Crystallographic presenters are “invited” (with Laboratory-based or synchrotron Association Spring Meeting. arm twisting) to deliver a 2 based – this Workshop could be Details of this meeting can be minute snapshot of their poster for you. With the many advances found at to encourage people to have a in x-ray sources, particularly with http://bca.cryst.bbk.ac.uk/BCA/ closer look in the poster session. 3rd-generation x-ray sources such meets/BCA01.html as E.S.R.F, the opportunities, and SUNDAY 8 APRIL, sometimes difficulties, presented TUESDAY 10 APRIL, 17:30-18:00 by increased coherence can 09:00 - 12:30 Annual General Meeting of the hardly be ignored. Joint sessions on “Advanced X- Physical Crystallography Group ray sources” with the CCG: (also the Structural Condensed Whether or not you know your (II) Diffraction at the Absorption Matter Physics Group of the IoP). lateral coherence length from Edge. This session will deal with See elsewhere for agenda and your elbow, come along and new opportunities for details. participate in this informal experiments at X-ray absorption workshop, which comprises two edges - the hows and whys. MONDAY 9 APRIL, short tutorial talks - one on 09:00 - 12:30 general aspects of coherence by PCG Speakers Joint sessions on “Advanced X- Dave Laundy and the other on Brian Tanner (Durham) ray sources” with the CCG: implications for biological Resonant diffraction from (I) New Sources. This session will crystallography by Colin Nave - multilayers cover new radiation sources both and short contributions/ Des McMorrow (Riso) in the home laboratory and at discussion points/questions from Diffraction studies of national facilities - design and participants, such as: charge/spin/orbital ordering application to real problems. V E Dmitrienko (Moscow) PCG Organisers - Steve Collins What determines the final profile Forbidden reflections and partial ([email protected]) & Dave in a diffraction experiment? structure solution using Allan ([email protected]) Do coherent speckle experiments anisotropic anomalous give useful information? diffraction

10 BCA Spring Meeting group sessions

POWDER DIFFRACTION WHY INDUSTRY USES Industrial INSTRUMENTS CRYSTALLOGRAPHY (SUNDAY 14:00 - 17:30 8 APRIL) (MONDAY 9 APRIL) Group Judith Shackleton, Manchester Materials Science Centre Crystallography has wide Sessions application in many of our In this session we will investigate manufacturing industries. This powder diffraction geometry. session will give a series of BASIC POWDER DIFFRACTION We look at the various overviews of the value that WORKSHOP components of the crystallography brings to a (SUNDAY 8 APRIL diffractometer, what they do, selection of these industries. & MONDAY 9 APRIL ) how they work and how we While we hope these surveys will make the optimum choices. We be interesting in their own right, This one and a half day course will also discuss the choice of X- we also intend that they spark has been constructed with a ray tubes, the anode and tube some ideas across traditional special concern for the many focus as well as the industrial boundaries. people now working in X-ray characteristics of various types of Presentations on the following Powder Diffraction who are detectors. The selection of data industries are planned: relatively new to the field. There collection conditions (step size, are no special pre-requisites for counting time etc) and the Aerospace, Pharmaceuticals, taking part, other than a general importance of good sample Electronics & Minerals. technical background, but a little preparation will also be The session will begin with: hands-on experience of XRPD described. The Alun Bowen Industrial would help. Lecture ‘Crystallography in the Aerospace PHASE IDENTIFICATION Industry’ INTRODUCTION TO (MONDAY 09:00 - 12:30 9 APRIL) Colin Small, Rolls Royce CRYSTALLOGRAPHY John Faber, Principle Scientist For more information, contact: (SUNDAY 09:00 - 12:30 8 APRIL) International Centre for Steve Norval, ICI plc, Science Jeremy K. Cockcroft, Diffraction Data Support Group, Birkbeck College London Wilton Centre, PO Box 90, This session will give an overview Wilton, Middlesbrough TS90 8JE, This session will cover the basic of the history of phase tel. 01642 432005, crystallographic principles identification and the fax. 01642 432244 underpinning powder diffraction development of the ICDD email: [email protected]. with emphasis on the factors that powder diffraction file (PDF). determine the position and Methods of identification and intensities of the peaks in a characterisation of crystalline NEW & FUTURE POSSIBILITIES IN powder pattern. In addition, substances by use of the PDF will POWDER DIFFRACTION some of the crystallographic be covered. The importance of (TUESDAY 10 APRIL, factors affecting profile line gathering good quality data and 09:00 - 12:30) shape will also be discussed. A the use of new computer aided brief overview of crystallographic search methods will be The programme highlights some symmetry and its affect on demonstrated. The content is aspects of instrumentation and powder data will be covered. designed for both beginners and methodology in powder Having dealt with the basic experienced users of the Powder diffraction that have seen recent principles, we will then discuss Diffraction File. advances and explores what we the principles and practice of should expect to see in the indexing, unit cell refinement, For further information, please future. and space group determination contact: of our powder diffraction data. Dave Taylor, The X’Celerator: a breakthrough 35 Birchley Road, in powder diffraction Billinge, Wigan, Dr Anna Widdowson, Lancs. WN5 7QJ Philips Analytical tel. 01744 893108, email: [email protected]

11 BCA Spring Meeting group sessions

Hardware & Software BSG SESSION 2. Innovations Biological STRETCHING THE LIMITS - Dr Gÿtz Menges, Bruker AXS PROTEINS AT ATOMIC Gmbh Structures Group RESOLUTION. (MONDAY 9 APRIL, 09.00 - 12.30) New Developments with the PDF (BSG) Sessions This session will look at atomic Database resolution studies of proteins Dr John Faber, ICDD both as a tool for solving new SATURDAY 7 APRIL, structures and for mechanistic Rietveld Refinement: Past, 2P.M - PLENARY SESSION studies of enzymes. Present, & Future Possibilities Looking at structure. Complementary developments in Jeremy Cockcroft, Professor Rod. E. Hubbard (York) the neutron field will be covered. Birkbeck College High resolution data collection: The session will include two BSG SESSION 1. optimising the chances. further presentations; details will HOW MAD CAN YOU GET? Elspeth Garman (Oxford) be posted on the Industrial (SUNDAY 8 APRIL, 14.00 - 17.30) Group Web pages as soon as they This session will cover all Protein structures at atomic become available. experimental aspects of structure resolution. determination by the MAD Keith Wilson (York) For more information, contact: method from selenomethionine Steve Norval. expression to locating the sites as Protons in proteins: how to see well as novel developments in hydrogen atoms at medium Industrial Group Posters the field such as the exploitation resolution. Posters are invited for display at of the anomalous signal from Dean Myles (EMBL/ILL, Grenoble) the Spring Meeting. As an extra biologically occurring elements. incentive to your participation, in Crystallography at subatomic addition to the acclaim that your Expression of selenomethionyl- resolution: the aldose reductase poster will no doubt bring, the substituted proteins. structure at 0.66 Angstrom Industrial Group is offering a Neil McDonald (ICRF/Birkbeck) resolution. magnificent prize of £50 for best Alberto Podjarny (Strasbourg) poster. Exploiting anomalous signal, experimental methods of Enzymatic degradation of high- Some guidelines follow for what phasing macromolecular explosives at atomic resolution. we would prefer to see in our structures: methods, pitfalls and Peter Moody (Leicester) posters and our adjudicators will perspectives. work from these. Sean McSweeney (EMBL/ESRF, Grenoble) BSG SESSION 3. Posters are encouraged that: HOT STRUCTURES Xenon and soft X-ray MAD. (MONDAY 9 APRIL, 13.30 - 15.30). • are relevant to industry Pierre Rizkallah (Daresbury (including some background Laboratory) Acetylcholine Binding Protein and value of the work to (AChBP), a homologue of the industry) Methods for locating the ligand-binding domain of the • have clear aims, results and anomalous scatterers in nicotinic acetylcholine receptor. conclusions macromolecular structures. Katjusa Brejc (Netherlands • concentrate on telling the Thomas Schneider (Gottingen) Cancer Institute, Amsterdam) story, rather than fine detail • are not an advertisement for a Phasing on anomalous halides. Structure of a collagen - and commercial product Zbigniew Dauter perlecan-binding fragment of (Brookhaven/Frederick, USA) nidogen. There will be an opportunity to Erhard Hohenester (Imperial, give a brief oral presentation of London) the content of each poster. BSG ORAL POSTER PRESENTATIONS (SUNDAY 8 APRIL, 11.00 - 12.30)

12 News Review March 2001

Two metal binding beta-jellyrolls: The North West Structural Details for the NWSGC can be oxalate oxidase and auxin Genomics Centre found at http://www.nwsgc.ac.uk receptor. Following the recent North West Eui-Jeon Woo (Queen Mary, Science Review, funding has Samar Hasnain London) been allocated for the first UK CLRC Daresbury Laboratory academic structural genomics Bifunctionality and the structure effort. The North West Structural of mammalian sperm beta- Genomics Centre (NWSGC) Beamline BM14 at the ESRF, acrosin. consortium will consist of several Grenoble Becky Tranter (Bristol) north west universities Beamline BM14 at the ESRF - one (Manchester, UMIST, Liverpool of the premier MAD protein Crystal structure of the Holliday and John Moores), AstraZeneca crystallography beamlines in junction-resolving enzyme T7 and Daresbury Laboratory. The Europe - has recently been endonuclease I at 2.1 Angstroms purchased by the UK Research resolution. NWSGC members bring together Councils (MRC, BBSRC and EPSRC) Jonathan Hadden (Leeds) expertise in protein crystallography, human in collaboration with the EMBL An unsuspected covalent pathogens, membrane proteins, Outstation in Grenoble. Initially, intermediate in the metalloproteins and the BM14 will be jointly operated by epimerisation of carbohydrate internationally recognised UK and Spanish consortia as a reveals a new class of Liverpool School of Tropical Collaborative Research Group mechanism. Medicine. The centre will be (CRG) in conjunction with the James Naismith (St Andrews) based around a dedicated high ESRF, and will transfer to sole UK throughput Multi-wavelength management in 2003. Anomalous Dispersion (MAD) THE BRAGG LECTURE beamline on a high field The intention of the steering (MONDAY 9 APRIL, 17.00 - 18.00). multipole wiggler on the SRS, committee is to provide rapid Bragg reflections illuminate the Daresbury Laboratory. The access to BM14 on a per project structures of some perfidious initiative aims to establish the basis with beam time being viruses. Dave Stuart (Oxford) technology for high throughput scheduled within 6-8 weeks of structure determination in the the initial proposal being UK. submitted. This should particularly help smaller research The centre will target pathogen groups to gain access to facilities genomes, and more specifically at the ESRF. In addition to proteins likely to mediate host fostering the use of MAD pathogen interactions. This is an techniques in UK laboratories, area of particular strength in the the beamline will be further research groups in the north developed with the aim of west of England. The elucidated establishing automated methods structures are expected to of sample changing, crystal provide insights into the location and crystal alignment. workings of these biological molecules. It is likely that they Applications for beam time are will be important for rational now invited from all members of drug design and the diagnosis the UK research community and treatment of disease, as well (regardless of funding source) as in the advancement of the and can be made by visiting the basic principles of biology. Our BM14 UK web site ultimate aim is to improve the ( http://www.bm14.ac.uk/bm14/ understanding of host pathogen proposal.html ). The proposal interactions, leading to the form is very short and decisions development of more effective will be made by an independent drugs. Review College within about one week of submission. Priority will

13 News Review March 2001

be given to MAD experiments, environments, often in full four- although all projects that would circle geometry. It is the Spreadsheet benefit from the facilities at BM14 instrument of choice for detailed will be considered. Researchers study of phase transitions, with Library interested in applying for EMBL appeal not just to physicists but time on BM14 should contact also to chemists, mineralogists, Library of Excel Routines for EMBL, Grenoble directly in the and others. A new addition in Diffraction and first instance and then submit 2001 is a lifting detector support Crystallography proposals through the BM14 UK to allow inclination of the 80x80 web site. The Spanish consortium mm2 position-sensitive detector The Industrial Group has set will operate its own beam time by up to 30° to the equatorial up a library of Spreadsheet allocation procedure. For further plane for greater reciprocal-space routines running on information please go to the access with bulky or heavy sample Microsoft Excel. BM14 UK web site environments. ( http://www.bm14.ac.uk/ ) or send The first release was made an email to VIVALDI (Very Intense, Vertical- available for download on 19 [email protected]. Axis, Laue Diffractometer) is on Jan 2000. The files schedule for installation in the can be downloaded in a single David Stuart, Oxford University spring of 2001. The vertically- zip file or just the individual Guy Dodson, York University and mounted cylindrical image-plate files you require from: NIMR, Mill Hill detector will accept an Orange Neil Isaacs, Glasgow University cryostat and offer temperatures http://www.ccp14.ac.uk/ccp/w Andrew Leslie, from 30 mK to 600K for rapid eb-mirrors/bca-spreadsheets/ Cambridge University study of phase transitions, Simon Phillips, Leeds University refinement of reasonably large If you have developed an structures to atomic resolution, XRD/Crystallography and immediate investigation of spreadsheet routine you wish ILL News – Update on ILL ‘hot’ structures. Further details on to share then please e-mail a diffraction instruments these and other instruments can copy to [email protected] The Institut Laue-Langevin, in be found under Grenoble, France, provides a http://www.ill.fr/YellowBook. comprehensive range of neutron diffraction facilities and in-house How to apply for neutron user-friendly expertise for beam time USEFUL crystallographic experiments in Our deadlines for beam-time physics, chemistry and biology. For applications are 15 February and WEB SITES further information see 31 August. Accepted proposals http://www.ill.fr/dif & submitted by February will receive http://www.ill.fr/lss. A Science Forum entitled beam time in the second half of "Scientific Advice and Public the year, and those submitted by Confidence" can be found on Latest News August in the first half of the next D10: For those really tricky the Citizen Portal website: year. Invited scientists affiliated to http://www.ukonline.gov.uk. crystallographic problems, where the ILL member countries are conventional high-flux single- assisted with travel costs and crystal diffractometers still leave Next Wave at subsistence. For further details http://nextwave.sciencemag.or you wondering, you might please see http://www.ill.fr/SCO. consider trying D10. With optional g/uk is a useful site if you For hot topics or new users there need career advice. It also has energy analysis, very low intrinsic is the possibility to apply for background, large wavelength areas devoted to science Director’s discretionary time policy, job market news, job range and sturdy sample table, it during the year. gives you the flexibility to explore hunting, career training, reciprocal space to high resolution S A Mason and G J McIntyre Postdoc work, salary surveys, over a wide dynamical range Institut Laue Langevin Postdoc and Faculty issues. under extreme sample 1 February 2001

14 People in the News March 2001

Honary Fellow of OBE awarded to the Royal Society of Professor R. Nelmes Chemistry

Professor Jack D. Dunitz of the Swiss Federal Institute of Technology, Zurich has been made an Honorary Fellow of the Royal Society of Chemistry. Jack studied chemistry at Glasgow University, (Ph.D. 1947) and held research fellowship at Oxford University (1946-1948, 1951- 1953), the California Institute of Technology (1948-1951, 1953- 1954), the U.S. National Institute of Health, Bethesda MD (1954- 1955), and the Royal Institution, London (1956-1957), before taking up a professorship at the ETH-Zürich, a post that he held Congratulations to Professor provided by modern neutron and until his retirement in 1990. He Richard Nelmes, University of synchrotron sources, and will be has held Visiting Professorships in Edinburgh and Senior Visiting particularly effective when the United States, Israel, Japan Fellow at CLRC, on the award of diamond is in operation. CSEC and the United Kingdom, has an OBE in the New Year Honours will bring together neutron and been elected to membership of List for services to science. synchrotron facility users in five several learned societies, and has Richard leads groups from the departments in Edinburgh to received several awards for his University of Edinburgh based tackle a wide range of extreme work. He has written more than full time at both ISIS (CLRC conditions science including 300 scientific papers and is the Rutherford Appleton Laboratory) research into novel materials author of ‘X-Ray Analysis and the and the SRS (CLRC Daresbury made at high pressures and Structure of Organic Molecules’ Laboratory). Over the past temperatures, the use of pressure (Cornell University Press, 1979; decade he and his colleagues to tune and optimise applied Verlag HCA, Basel, 1995) and have developed many new electronic properties, materials ‘Reflections on Symmetry in techniques and facilities for and processes for extreme Chemistry...and Elsewhere’ (with studying crystal structures and conditions engineering, earth E. Heilbronner, Verlag HCA, transitions at very high pressures, and planetary science, high- Basel, 1993). using diffraction methods with pressure biology, and neutron and synchrotron beams. fundamental condensed-matter physics. Most recently, Richard has led a successful £7m bid to the Joint Extracts from an article which Infrastructure Fund to set up a was first published in the CLRC Centre for Science at Extreme ‘Labnews’ for January 2001. I am Conditions (CSEC) based in grateful for permission from RAL Edinburgh. This will provide the Press and Public relations for extensive laboratory-based permission to reproduce it here. facilities needed to make the The photograph is copyright most of the opportunities CLRC reference no (96RC3864).

15 People in the news March 2001

Industrial Group Award 2000 Dr David Dyson (see also report of the IG Autumn Meeting 2000)

David Dyson was presented with an Industrial Group Award during the 2000 Autumn Meeting at Roche Discovery, Welwyn. David has been associated with BCA Industrial Group from its inception. He has contributed widely to group activities and served on the committee as an ordinary member, vice-chair and chair between 1989 and 1996. David Dyson receiving his award from Chairman Steve Norval David’s involvement with crystalline materials and industry programs followed covering a enabled him to study phase began when he joined G.E.C from variety of aspects of his work. He transformations and orientation university, characterising reactor developed means for the changes in situ graphite materials. That quantitative analysis of a number during straining and at high developed an interest in high of products in the steel industry temperatures via diffraction temperature studies, crystallite and contributed to development studies. size and strain using camera and of profile fitting methods. He diffractometer methods. became very interested in the An area of David’s activity that effects of solid solution and has become very familiar in recent 18 months later, David returned preferred orientation, both of years is his strong interest in to his native Yorkshire to work which are common in the steel quality assurance, especially in with United Steel Companies, industry. David has also relation to NAMAS / UKAS. which later became British Steel. contributed to British Standards Several of us have benefited from This brought together interests in in Texture Analysis of steels. He his regular and thorough electron and x-ray diffraction that was responsible for setting up the assessment visits! David has pursued ever since. BS in the early 70s and developed Early studies covered phase the software. The use of ODF saw There are inevitably many analysis in oxide systems that led him talking to and advising important things missed here to the identification of a number suppliers on how to output the from David’s many contributions of new phases appearing in the data. to industrial crystallography. He powder diffraction file. In the 60s, has published well over 100 he developed the diffractometer There was a series of BS reports papers and given many lectures method for analysing dust on air on electron diffraction that both at home and abroad. But I filters and contributed to the subsequently appeared as a book hope it will be very clear that MDHS standard used since for - still selling world wide (He says it David is a very worthy a recipient environmental monitoring. needs updating and re-issuing!) of this award. This introduced him to single David was one of the first people crystal work and geometry of Dr Steve Norval in industry to recognise the diffraction with the stereographic importance of computers in the projection became one of his XRD laboratory for data collection most useful tools. Installation of a and analysis. A large suite of 1000KV HVEM at Rotherham

16 Obituary - Arnold Beevers (1908 - 2001)

Arnold was appointed in 1938 to the tetrahedra of Be(H2O)42+ and SO42– Dr C. Arnold Beevers Dewar Fellowship in Crystallography. ions. Previously, a remarkably This was a post offered jointly by the imprecise treatment had found that Departments of Physics and the sulfate ions were planar! Arnold Chemistry at the University of rapidly became involved in Edinburgh, and he was elected determinations using Fourier Fellow of the Royal Society of methods and the new Patterson Edinburgh later that year. And in method; important examples were Edinburgh he remained, coming into the alums, copper sulfate his office in the Chemistry pentahydrate, and particularly the

Department for the last time less so-called ß-alumina, NaAl11O17, than two months before he died. which he published with the late Dr As a young adult, Arnold, like Marion Ross. Originally studied as a

Kathleen Lonsdale, felt drawn to troublesome impurity in Al2O3 join the Religious Society of Friends production, it is now an important (Quakers) and his deep faith in and solid-state ionic conductor, and two with that body greatly influenced his sites in the structure are known as approach to science and to life. He Beevers-Ross and anti-Beevers-Ross was unswervingly committed to sites. humanitarian causes, and in particular to world peace, and he Arnold’s arrival in Edinburgh was With the death of Dr C. Arnold strongly disliked any form of soon followed by the outbreak of Beevers, Reader Emeritus in superstition or other obscurantism, the Second World War. As a Crystallography at the University of and any sort of pomposity. His life conscientious objector, he was sent Edinburgh on 16 January, 2001, we was touched by tragedy, especially to assist Professor Norman Dott at have said farewell to a great man, the severe dementia which overtook the Western General Hospital in his who was scientist, teacher, inventor, his wife Marjorie in the late 1950’s, work on electroencephalography. humanitarian and humorist in a rare and which grew ever worse until her Arnold threw himself enthusiastically combination. Arnold was born in death in 1992. Sadly, a similar into this work, particularly as it Manchester on 27 May, 1908, but his problem affected Yvonne, his second threw light on the nature of sleep, family moved shortly thereafter to wife, who died in 1998. In these and this interest remained with him Liverpool, a city of which he was circumstances, his never-failing sense for the rest of his life. always proud. His father was a of humour was all the more master tradesman, whose work remarkable. After the war, Arnold joined the included the installation of the glass Department of Chemistry as a roof of the Lever factories. He Arnold’s scientific contributions were member of staff, and built up an X- obtained a B.Sc. in Physics from the many. From his early days, he is most ray diffraction laboratory there, University of Liverpool in 1929, and a remembered now for the Beevers- mainly with equipment he had D.Sc. in 1933. While there, he was Lipson strips, and the technique by designed himself. His generators and greatly influenced by Professor which they reduced the huge cameras were characteristically Lionel Wilberforce, whose well- calculations of three-dimensional robust and precisely engineered. The designed springs and clamps Arnold Fourier summations to sums of arrival of Professor E.L. Hirst and the never tired of demonstrating. After manageable one-dimensional ones. growth of his carbohydrate group graduation, he was asked to set up These attractive boxes of strips of encouraged Arnold to investigate work in the relatively new subject of card were produced in great the then daunting structures of X-ray diffraction together with quantity until the digital computer sugars, and ones he studied included Henry Lipson, a colleague and friend became generally available in the glucose, and sucrose in the form of for many years. The two of them late 1960’s. The technique is still its sodium bromide adduct. made frequent trips (sometimes by used in many computer programs. bicycle) to the University of Arnold’s earliest structural As a teacher, Arnold gave lectures of Manchester to get advice from publication was a correct and a highly individual nature, which Lawrence Bragg, and Arnold beautiful reinterpretation of the have remained in the memories of eventually moved to a post there. structure of beryllium sulfate generations of students. As an After a short appointment at Hull, tetrahydrate as interpenetrating experimenter, he delighted in

17 Obituary - Arnold Beevers (1908 - 2001)

demonstrations, although they did Scotsman with raised fist, in a most Ångstrom models then available, not always behave for him. One unpacific manner! When he retired and developed precision drilling lecture ended uproariously as an in 1978, the Edinburgh University machines to enable the scale to be explosion he had attempted to Dental Society gave him a life reduced to 1 cm per Ångstrom. After demonstrate finally worked in the membership of which he was always some experimentation, he fixed on hands of the technician who was very proud. the 7mm perspex spheres and 1mm removing the apparatus. Happily, no steel rod now used, being serious damage was done to the Arnold was for many years active in determined that the models must be technician or anyone else! Younger the Edinburgh Cripple Aid Society. both accurate and elegant. Typically, colleagues were surprised (to say the He was in much demand as a helper, he published his methods and would least) to see Arnold showing the particularly as Master of Ceremonies have no truck with the idea of a bones of his hand to visitors by using at plays and concerts. An epileptic patent, which he saw as unfairly the direct beam from the lab X-ray seizure affecting a leading lady denying public access to his ideas generators. Again, he always never fazed him, and he could and methods. The calculations seemed to get away with it. His immediately take over, often getting required for drilling, he carried out crystallography lectures generally the audience engaged in community manually, using a Wulff net for his featured safer equipment, including singing. He displayed this ability stereographic projections. From the the collection of plasticene equally at international scientific beginning, much of the work was elephants he used to occupy the sites meetings. Particularly famous at carried out by handicapped workers, of a lattice. He also had a large home and abroad was his version of including at one time Brian Wilson, assortment of collecting boxes for Dr “My Bonnie lies over the Ocean” in the world’s longest surviving patient Barnardo’s Homes for this purpose, which the singers must stand up or on renal dialysis (as listed in the frequently pointing out that this was sit down on each word beginning Guinness Book of Records!). These an excellent charity and that the with “b”. Generally, by the third workers clearly took great pride in boxes had another useful function! chorus, even a group of scientists their work, which have gone all over He was honoured one year by a song were coping with all the “bring the world, to institutions ranging from the honours students, showing backs”! At one international school, from a school in Port Moresby, New that they had learned at least he produced a song for the final Guinea, to I.B.M. Research. Over the something from him: dinner, which took place after a years, the Models were taken over particularly long and boring lecture. by the University, and Arnold Twinkle, twinkle, little star At the end of the song, Arnold accepted that lesser mortals would How I wonder how you are? remarked brightly, as no one else have to use the computer even for For you have five points, I see, would have dared, “I wrote that in drilling calculations. He was actually And I know that cannot be. Professor H****’s lecture this pleased to see himself eventually on You must be point group 33 morning. Had he gone on any a website! A new system of symmetry! longer, there would have been even more verses!” The Beevers Miniature Models Unit Possibly his most lasting impact as a continues, showing that he was right teacher was his teaching of The involvement with handicapped that computer modelling would not chemistry for dental students over people was very important in replace completely the elegant, many years. In 1946, he published an Arnold’s last major scientific permanent model in museums, elegant interpretation of the contribution, what are now known teaching or research. Arnold is structure of fluorapatite, the ideal as Beevers Miniature Models. Arnold survived by Lois and John, his bone and teeth mineral, showing moved away from structure daughter and son, by four the function of the fluoride ions in determination after 1960, as he was grandchildren and five great- holding it together. Thereafter he never really happy with the advent grandchildren. Many former became devoted to the cause of of the digital computer; for the first students and colleagues world-wide improving dental health by adding time, he was being asked to use have joined in sending them their fluoride to drinking water supplies equipment which he could not fully sympathy and their happy memories which were deficient in it. He often comprehend and design himself. He of a great and kind man. spoke at rallies on this subject, sensed the need for accurate ball- cheered on by his students, and was and-spoke models on a scale much Robert and once caught in a photograph by the smaller than that of the inch to Sheila Gould

18 Mechanical stresses at ILL

or coatings, especially on Non-destructive materials containing heavy elements or welds which show a determination of thin heat affected zone and high mechanical stresses stress gradients. Computer calculations are at ILL frequently used to optimize components and manufacturing Figure 1. The rail and the plane along processes. But they often have to which the measurements have been The high penetrating power of use simplified models to achieve performed. The arrow shows the direction neutrons make them well suited reasonable calculating times; so of the longitudinal strain component. to measurements deep inside for confirmation measurements matter. One application that are indispensable. Achieving takes advantage of this property absolute values for the is the neutron strain imaging calibration of models is another technique for the non-destructive important point for determination of mechanical measurements. The results from stresses. Any engineering neutron strain imaging can be component is stressed to some compared directly with finite extend, which can have positive element simulations since both or negative influence on the determine strain values. An Figure 2. The solid curves show the properties of the component. example where the neutron evolution of the longitudinal strain Therefore its determination is of experiment helped to verify the component in the head hardened rail and the dotted lines in the non-treated rail. great importance. The advantage finite element model and There is no negative influence of the of the neutron technique is that optimize the manufacturing hardening process on the strain-, and it is applicable to small as well as process was a measurement on therewith the stress distribution in the rail. to large specimens and that no roller straightened railway rails, special sample treatment is recently performed at ILL. The measurements indicate that necessary before an experiment. the strain-, and therefore the Newly developed materials, Roller straightening is the last stress- distribution in the samples from the production line step in the production of a rail. hardened rail is not very or after wear are equally good Therefore it determines the final different from the not heat candidates for the neutron strain mechanical properties of a rail treated one, which is the desired imaging technique which makes i.e. straightness, flatness of the result. (This experiment was part it attractive to both the scientist running surface and residual of the thesis work of Gerald and the mechanical engineer. stresses. Rails used for goods Schleinzer of the Institut für Some examples which trains or in curves are hardened Mechanik, Montanuniversität demonstrate the range of by applying a heat treatment Leoben, Austria) applications are: welds, after straighten them. It must be interfaces, coatings, hardening, insured that this treatment does fatigue and composite materials. not introduce additional tensile stresses into the rail, since they A new instrument At the ILL stress determination is allow crack initiation and may The present strain imaging set-up done on the D1A diffractometer. support crack propagation. Two at ILL is somehow inconvenient It is applicable to specimens from rails from production were since the space available for about 1 cm3 size up to half a investigated: a roller samples is limited. Due to the meter in length and weights not straightened rail and an importance of the technique ILL exceeding 80 kg. A stress-rig additionally hardened one. Two has decided to build an which works up to 15 kN in 0.5 m long rail sections were instrument dedicated to the tension and compression is chosen for the experiment and determination of (residual) available. The latest development measurements were performed stresses. The work on the new on the instrument is a new beam on a cross section as shown in instrument has already started optics that provides much higher fig 1. The longitudinal strain and is now continued in lateral resolution for interface component of the two rails is collaboration with the University and surface measurements. This is plotted in fig. 2. Position 0 mm is of Manchester, jointly funded by a unique feature for this type of the surface of the railhead, the ILL under the ILL Millennium instrument and makes it suitable 170 mm the foot. program, and the EPSRC. The for investigations of surface new instrument will be treatments such as shot peening constructed and commissioned

19 Making Maps of Magnetism

over the next four years. The high energy physics and sensitive detector array that objective is to enable condensed matter physics is divides a 16.5 m_ area into some measurements in samples of up especially strong in the studies of 150,000 individual pixels. The to 1000 kg weight and up to magnetism and the strong 500Mbytes of data collected per between 1.5 m and 2 m length. A correlations between atoms. measurement are analysed by unique sample table - a hexapod Here particle physics merges with powerful visualisation and other - will position the specimens to condensed matter theory. software that provides high accuracy and allow scans in experimenters with any direction. A new super Dr Alan Tennant, a Research unprecedented freedom to mirror neutron guide and a Fellow at Wadham College, group individual pixels together double focusing monochromator Oxford, was one of the first users to optimise the instrument’s will provide between 3 and 5 of the new machine; he describes resolution for their particular times the intensity of the present it as “a revolutionary step- experiment. It is almost as instrument and allow high- forward for neutron scattering.” though they are reconstructing resolution measurements at the “Neutron scattering is unique in the instrument for every new same time. We are looking being the most direct and measurement, and furthermore forward to the new instrument versatile way to see quantum they can continue to do this even since it will extend the range of mechanics in action, with all of after the actual data collection applications tremendously in the correlations and interactions has ceased. research and for industrial use. between atoms in a material becoming visible,” he said. In its first period of operation Thilo Pirling “Quantum mechanics gives the MAPS has already revealed new Institut Laue Langevin, Grenoble fundamental rules of how atoms excitations in a previously well 1 February 2001 interact, and the richest set of studied material, demonstrating rules are encapsulated in that novel instrumentation leads magnetism. Studying model to new scientific avenues and magnetic systems provides opportunities. insight into the complex rules that govern everyday behaviour. The users were greatly excited The huge advantage of the that the new generation of MAPS instrument is the collection instruments, like MAPS, of a 3-dimension volume of data demonstrates that the MAKING MAPS OF that reveals the whole picture of performance is no longer MAGNETISM the atomic correlations in one necessarily defined by the Article reprinted courtesy of snapshot with unprecedented quantity of neutrons, but also by CLRC Rutherford Appleton detail.” the progress in the technology Laboratory incorporated in their designs. Some stunningly beautiful data Technological advances are MAPS is ISIS’s new neutron from the first few weeks of driving neutron instrumentation scattering instrument designed operation are demonstrating the forward, allowing the collection, to investigate single crystal full power of the MAPS position manipulation and visualisation of samples. After its first cycle of the data produced in ever more scientific commissioning it is imaginative and complex ways. already breaking new ground in furthering our understanding of For more information please magnetic materials. contact:

The behaviour of large and Jacky Hutchinson complex aggregations of - Press Officer, elementary particles or atoms CLRC and RAL cannot be understood in terms of e-mail: [email protected] a simple extrapolation of the Dr Toby Perring properties of a few particles. e-mail: T.G [email protected] Instead, at each level of Dr Christopher Frost, complexity, entirely new e-mail: C.D.Frost@ rl.ac.uk properties appear and Chris Frost in front of the vast 16m MAPS understanding the new position sensitive detector array, behaviours requires fundamental developed at ISIS by Julian Norris, Nigel analysis. The parallels between Rhodes and colleagues.

20 Bursary Reports more reports in the June issue

rubidium and caesium undergo a s _ interactions, in particular a plenary From the Treasurer d transition, they essentially turn given by Ingeborg Csöregh of into monovalent d transition Stockholm University who showed a BCA Bursary awards metals. As metals adopt complex range of crystal structures in which in 2000 crystal structures under pressure, the halogen-halogen contacts were angle dispersive synchrotron x-ray very short. In the Neutron During 2000, a total of £1520 was diffraction is required to gain Diffraction microsymposia, Chick used for BCA General Bursaries. A sufficiently good data for structure Wilson of ISIS gave an entertaining donation of £500 was made to the solution. overview of what is “State-of-the- Glasgow Protein Workshop to art in Time-of-flight Neutron support student attendance. Martin Kunz from Zurich delivered a Diffraction”. Bursaries totalling £4481.21 were very informative talk entitled “High Pam Mcgregor awarded through the Heriot Watt Pressure powder crystallography Edinburgh University Spring Meeting accounts. The using synchrotron and neutron administration of bursaries has been radiation”. In this, he gave an reviewed and new procedures overview of the equipment used, IUCr International Workshop on implemented to speed up the including the Merril-Basset Crystallography at High-Pressure decision making process and ensure diamond-anvil cell for x-ray work and High-Temperature Using X- that guidelines are followed. and the Paris-Edinburgh high- pressure cell for neutron diffraction. rays and Neutrons The use of laser heating in the Spring-8 Hyogo, Japan 19th European diamond–anvil cell increases the 30th Sept to 3rd Oct, 2000 temperature range to several Crystallographic thousand Kelvin. This coupled with The setting for the conference was the megabar pressure range of the the SPring-8 Synchrotron Source in Meeting cell and synchrotron radiation, Hyogo, Japan. Built at 1000ft above enables in situ experiments. The sea level on the flattened top of a Nancy, France third generation synchrotron beam mountain, SPring-8 (Super Photon 25th-31st August 2000 has a small, brilliant x-ray spot of 10 ring 8Gev) is a source which rivals _m, which has a diameter less than the ESRF in terms of stunning The ECA conference this year was that of the laser beam. This is scenery. It also boasts the brilliance held in the picturesque city of excellent for the powder data expected from the worlds most Nancy, capital of the Lorraine collection at the above P-T range, powerful third generation district of France. By day, we although the conventional pressure synchrotron source, and has a enjoyed the science, and on the measurement using pressure science programme to match. The warm evenings, we enjoyed a beer sensitive fluorescence lines is no impressive scale of the science was or two around the main square. This longer reliable, and an equation of demonstrated on the first night by a year saw new special interest states measurement is required tour of the synchrotron and the groups in Extreme Conditions and using an internal pressure standard. extensive array of high-pressure Diffraction Physics. With the help of sample environment. All ninety a BCA Bursary, I was able to travel On the penultimate afternoon, attendees had travelled from to the conference and present my there was an excellent session on around the globe as well as from work on a poster entitled “Under “Advances in Hydrogen Bond Japan itself to attend this High- Pressure: Hydroxylamine” in the Research”. The first talk was given Pressure, High-Temperature Extreme Conditions: New by Gastone Gilli of the University of Workshop. The programme was Developments session. The poster Ferrara in Italy, entitled “Hydrogen condensed into three days, and was showed the results of a high- Bonding in the Last Quarter of the packed with exciting new science in pressure study on d3-hydroxylamine Century: New Methods, New the field of extreme conditions. The (W.G. Marshall, C.R. Pulham, P.A. Results, New Ideas”. An overview of sessions attended were Random McGregor, D.J. Francis, ISIS2000 the research and development of Systems, Novel Structures of Simple Report for PEARL/HiPr Experiment the techniques involved and the Systems, Geophysics, Crystal RB10655). results obtained over the past 25 Chemistry and Material Science. The years was given by addressing four topics covered spanned a huge The Extreme Conditions key H-bond topics. These are the range of crystallography, including microsymposia began with a bond energies, the electrostaticity phase transitions in liquid plenary lecture on “Structural Phase and covalency, the phosphorous, the synthesis of super- Transitions of Simple Metals under electronegativities and relative hard materials from C-60 and a Pressure” given by Karl Syassen of proton affinities, and the strong H- lively debate on the high-pressure the Max Planck Institute in bond chemical leitmotifs. phase diagram of oxygen. Stuttgart. He gave an overview of the structural changes of the alkali There were also a number of oral My own presentation was a poster metals under pressure. Potassium, presentations on intermolecular describing recent development

21 Bursary Reports

work in the use of single-crystal The Ninth International Two days after the HPSP IX techniques for neutron diffraction Conference on High Pressure Conference, I went to SPring-8 to at high-pressure. In addition to the Semiconductor Physics (HPSP IX) attend the third International IUCr poster session, I was able to present Workshop on “Crystallography at The Ninth International Conference my work in a five minute oral High Pressure and High on High Pressure Semiconductor summary. This received a reasonable Temperature using X-rays and Physics (HPSP IX) was held in level of interest in its novel use of Neutrons”. The meeting started Sapporo this year, the capital of the time-of-flight Laue diffraction for with the tea ceremony (another beautiful Island of Hokkaido in the high-pressure work. I found it one!) followed by a get-together North of Japan. The meeting was extremely beneficial to meet and party in a very friendly atmosphere. spread over four days (four interact with a group of people The workshop was extremely well mornings and two afternoons). The possessing such a broad range of organised, with each day offering a scientific programme covered technical expertise. This was variety of oral sessions which I different areas in the field of perhaps the most important aspect found very rewarding (random semiconductor physics at high of the conference for me - that is, systems, novel structures, pressure, from the “Theory of the the exchange of technical solutions geophysics, crystal chemistry, High Pressure Phases of IV and III-V to problems which I had materials science, etc.). Semiconductors”, an excellent encountered in my own research. In opening talk given by G. Ackland addition, immersion in the science At the end of the first day, a very from Edinburgh University, to of so many experts in the field of interesting site tour of Spring-8 was “Photo-Induced Structural high-pressure science has certainly organised, giving the delegates the Transformations of C60 Single broadened my horizons as a young opportunity to visit the various Crystals under High Pressure” by T. scientist. However, the conference high-pressure beamlines of this Mitani from the University of was not all hard work. Devising a world-leading facility. The site-tour Tsukuba. social programme in a location as was extremely interesting as it was isolated as SPring-8 presented the my first visit to an overseas research I gave an oral presentation entitled organisers with a certain challenge. facility and it is no doubt that, “High-Pressure High-Temperature This was a challenge that was met having performed my PhD Structural Ordering in GaSb”, the in a uniquely Japanese way: the experiments at SRS in Daresbury, main subject of my PhD thesis, in Tatami Room. This small rectangular this visit was greatly valuable as it the first afternoon session of the room with paper walls and low provided me a wealth of meeting, which generated a lot of tables was where we met each information about recent high- interest. It was a fantastic other in a situation less formal than pressure beamline technology opportunity for me to present, for the lecture room. The traditional developments. The second day the first time, the results of my saké was served as well as (the featured a lively afternoon poster experimental work to the slightly Less traditional) Japanese session, where I presented my work, international scientific community Brie! We were also treated to an followed by the workshop banquet, in my field of research and to exquisite conference banquet where the finest Japanese food and exchange ideas with the world- overflowing with sushi-me and a drink were served. expert theoreticians in high- traditional Japanese tea ceremony. pressure semiconductor physics. At In summary, this meeting was Despite the isolated location of the closing ceremony, I was extremely fruitful for me SPring-8, various social activities awarded the Young Scientist HPSP scientifically. This was a direct were organised in the evenings: IX award based on the scientific consequence of my interaction with games, saké tasting and the quality of the work. This award was scientists who are Experts in the “Spring-8 Olympics Arm Wrestling presented to only a few students field of high-pressure. In addition to Competition” in the tatami room. and postdocs at the meeting. this, the cultural aspects of a visit to Once again, the Japanese did not Japan added a unique and miss the chance to show their true The social programme was very memorable flavour to the meeting. hospitality and make this event an much focused on experiencing unforgettable experience for all the Japanese culture. Delegates were Malcolm Guthrie participants. invited to a half-day excursion to University of Edinburgh Miss Van Petegham the Noboribetsu Hot Spring Edinburgh University followed by a Japanese-style banquet. Not neglecting to mention the fortunate delegates that arrived before the start of the conference, who had the opportunity to take part in a “kimono-wearing” session followed by the traditional tea ceremony. It is no doubt that this conference was a success at both the scientific and social level.

22 article reprinted courtesy of The Weirdest known struture of any element CLRC Daresbury Laboratory

experiments using conventional laboratory X-ray data. The result is the discovery of an entirely new type of elemental structure that was described in the scientific At atmospheric pressure and room journal, Nature, as ‘the weirdest temperature almost all the known atomic structure of any metallic elements, such as copper, pure element’. iron and magnesium, adopt simple Figure 2. high-symmetry crystal structures. The crystal structure of barium showing the body-centred tetragonal However, applying pressure to ‘host’. Chains of atoms form the two these elements changes the different ‘guest’ structures. electronic structure of their atoms and this can give rise to a sudden This is completely new in an change in structure, or phase element. However, it has now been shown not to be unique to transition, to one that is much barium. Further work by the more complex. As the electronic Edinburgh group at the SRS and structure of the atoms in high- also at the European synchrotron pressure phases can be quite Figure 1 radiation facility (ESRF), Grenoble, different to those found in an Figure 1 shows the diffraction pattern has recently uncovered very similar element at ambient pressure, they collected from a single crystal of Ba at incommensurate host-guest are effectively ‘new’ pressure- 12 GPa (1GPa=109 pascals; or 10,000 structures in strontium, bismuth induced elements. High-pressure times that of atmospheric pressure). and antimony. It is now a The pattern contains four distinct phases exist deep within the Earth challenge to theoretical physicists components: sheets of diffuse to model this new structure type. and other planets where their scattering; single-crystal reflections Further work will almost certainly centres are at very high pressure lying on these diffuse lines; weak uncover other fascinating and new and temperature. This has ‘satellites’ around these reflections (enlarged in the inset); and other insights into metallic structures. important implications for our single-crystal reflections which have a understanding of the chemistry spacing different from that of the For more information please and mineralogy of planetary diffuse lines. These are marked by contact: interiors. In addition, the ability to arrows. The crystal structure that explains make ‘new’ elements in the Malcolm McMahon these features is shown in figure 2. Tel: 01925 603639 laboratory opens up the possibility First there is a body-centred tetragonal e-mail: [email protected] to create a wide range of wholly ‘host’ structure which gives the new materials. reflections in the lines marked by arrows in figure 1. This structure has Tony Buckley, Scientific Barium (Ba) and strontium (Sr) are channels running perpendicular to the Information Services & Public examples of elements that have page (the c-axis). Within the channels Relations simple cubic structures at ambient there are chains of atoms that form Tel: 01925 603272 conditions. However, pressure- two different ‘guest’ structures. One is e-mail: [email protected] tetragonal and gives the strong induced changes in their electronic reflections that lie on the sheets of energy levels result in very diffuse scattering. The other is complex crystal structures that monoclinic and gives all the weaker have resisted all attempts to ‘satellite’ reflections. The diffuse scattering itself arises from some obtain a satisfactory solution for positional disordering of the guest the last 30 years or more. Recently, chains along the c-axis. What is most Professor Richard Nelmes, Dr remarkable and completely Malcolm McMahon and colleagues unexpected is that the guest structures have a different spacing along the c- from the Department of Physics axis compared to the host and there is and Astronomy at the University no distance over which the host and of Edinburgh have used powder guest structures repeat themselves an and single-crystal diffraction integer number of times. The host and guest structures are thus said to be techniques at the SRS to solve the ‘incommensurate’ with each other. puzzle in the case of barium. This work was complemented by

23 Controlled release of drugs article reprinted courtesy of CLRC Daresbury Laboratory

Cambridge scientists have now developed a model, based on these results and on previous work in this field. They propose that hydrolysis begins during the first 10 days, the molecular weight gradually Over the past few years, decreases, insertion crystallisation pharmaceutical companies have causes the long period to fall and been investing in the development only a small amount of the drug of drug delivery devices, as well as can diffuse through the dense in the drugs themselves. Many Figure 1: The long period of polyglycolide polymer matrix. However, at families of biodegradable polymers calculated by Bragg analysis of the Lorentz- corrected SAXS peak. around 10 days the polymer have been developed for use as reaches a critical molecular weight, drug release matrices. In such a and some of the oligomeric system the drug is combined with degradation products are able to the polymer, which is then diffuse out of the surface regions. implanted into the body. The drug This process creates spaces in the diffuses out of the implant over a resulting semicrystalline structure period of time, while the polymer which then become filled with matrix degrades harmlessly away. water. Sharp reaction/erosion Some of these delivery devices are ‘fronts’ form between the dense water-soluble and release the drug polymer at the centre of the sample as the polymer matrix dissolves. and the porous polymer on the Other polymer substances degrade Figure 2: Changes in polyglycolide crystallinity during polymer degradation, surface. These fronts subsequently more slowly in the body, such as calculated from the WAXS profiles. move into the centre, allowing the polyglycolide - the polymer from lamellar structure to swell and in which many degradable sutures are doing so, drug and oligomers are made. In this case, hydrolysis and released. Recent experiments using erosion of the polymer controls the nuclear magnetic resonance (NMR) release of the drug. imaging techniques and nuclear For any drug delivery system, the reaction analysis have confirmed release profile of the drug must be both the presence and the reliable and controlled. One major movement of these sharp hurdle presented by this technique reaction/erosion fronts. is that the diffusion process through a changing matrix is very Figure 3: Loss of mass and uptake of water Experiments have also been carried complex. This means that it is often during polymer degradation, expressed as a out to assess the impact of other difficult to predict and control the percentage of the original mass of each variables on the degradation sample. release profiles of the drug process; for example the thickness molecules that are contained and initial morphology of the within the polymer matrix. samples and the pH and Furthermore, incorporation of the concentration of the buffer drug itself may have an effect on solution. In every case the scientists the morphology of the polymer. have been able to correlate the morphological changes with the Using the SRS at CLRC Daresbury drug release profile. The further Laboratory, scientists from development of new and safer Cambridge University have been drug delivery systems is an able to monitor the microstructural important goal for pharmaceutical changes of quenched polyglycolide Figure 4: Release profile of the heat stable drug theophylline. Absorbances were industries around the world. The disks during degradation using measured using UV-visible ability to deliver a controlled dose wide-angle (WAXS) and small-angle absorbance spectroscopy. over longer periods will (SAXS) X-ray scattering. Changes in undoubtedly improve current crystallinity and lamellar structure The results in figures 1 to 4 show methods for the treatment of many were followed and these changes that at 10 days the degradation chronic illnesses including cancer. were then correlated with the process changes: the long period observed drug release profiles. reaches a minimum; the increase in For more information contact: crystallinity slows; there is a loss of Dr Ruth Cameron Tel: 01223 334324 e-mail: [email protected] mass and water uptake increases. It Tony Buckley, Scientific Information Services is at this point that drug release & Public Relations Tel: 01925 603272 e-mail: rate is at a maximum. The [email protected]

24 Beamtime at Studsvik

fluorine through the aldehyde Call for Proposals Computational hydrogen. He concluded by Studsviv Neutron Research showing the results of energy Tools in Chemical minimization calculations on n- Laboratory (NFL) alkanes, and showed that, although Crystallography short alkanes tend to adopt EU funded access to Large extended conformations, longer CCG Autumn Meeting chains acquire stability through Scale Facility Programme bends. Smithkline Beecham, n-C18H38 has a bend at its global Since 1994 the DR3 reactor at Riso Harlow minimum, and a genetic algorithm National Laboratory in Denmark shows that n-C90H182 folds into a 7 and the R2 reactor at NFL in helix form. While the method has Sweden have operated a joint been extended to polypeptide proposal system for their EU chains, it is too early to predict funded Access to Large Scale protein folding via these methods. Facility programmes. However the recent decision to close the DR3 Daniel Lynch (Coventry), made a reactor means that the joint “Request for Modelling Studies”, system can no longer be and talked about some of the continued. The new NFL proposal The Autumn meeting of the CCG, problems for molecular modellers system is very similar to the held on 15th November, was that he has come across in previous joint Riso/NFL system. attended by 89 people. In addition molecular structures. He focused on Calls for proposals will be issued to the scientific sessions, tours of adducts formed between every four months (normally April SB’s Discovery Chemistry facilities phenoxyacetic acids and 2- 1, August 1, December 1) - before and after the scientific aminopyridine derivatives. Crystal however now there will be no sessions were available. The structures show that the phenoxyacetic acid fragment is deadlines for submission of meeting began with a welcome found in both antiperiplanar and proposals. Proposals should be from the local organizer (Roy synclinal conformations, and submitted directly to NFL - not to Copley) and the head of SB’s molecular modelling studies show Riso as before. Note that it is also Medicinal Chemistry (Europe), that they have roughly equal possible to apply for training of Professor Peter Machin. energies. In free ligands containing new students, or training in new Jonathon Goodman (Cambridge) the 2-aminopyridine group, the techniques. In this case the started the scientific session with N(1)-C(2) bind is 1.345(2)Å, and the proposal does not have to be his talk on “Understanding amino N-C(2) bond is slightly longer linked to a specific experiment - in Molecules: Computational at 1.351(1)Å. In adducts, the amino some cases it is more effective to Approaches”. He demonstrated a N-C(2) bond becomes shorter by use a ‘model’ experiment for number of web-based tools (see some 0.03Å than the aromatic ring training purposes. http://www.ch.cam.ac.uk/magnus) N-C bond. For the cases where 2- for presenting the results of a amino pyrazine is used for adduct For powder and single crystal number of different systems. After formation, the same pattern diffraction (NPD, SXD), residual a brief introduction, he moved persists. However, if the amino stress and texture measurement onto the practical application of nitrogen has an alkyl group (REST), you will find that the computational tools to organic substituting a hydrogen, the performance of the NFL reaction mechanisms (particularly expected bonding pattern is instruments is very similar to that the isomerization of zaragozic returned. He concluded by showing of the comparable Riso acid). The relative proportion of that similar patterns exist for other instruments. NFL can also offer the isomers is predicted with increasing species and by remarking that SLAD diffractometer for accuracy when more sophisticated current molecular modelling diffraction studies of disordered models are used; the level of calculations do not predict these materials (liquids, glasses, disorder sophistication required for this to observations and as yet there is no in crystals), the TTOF thermal time- be useful is very high indeed. In real explanation for them. of-flight spectrometer and the another example, he showed that OSIRIS radioactive ion the stability and form of the Sally Price (UCL) talked about source/isotope separator. For more hydrogen bonding patterns found “Progress and Problems in the information on our facilities or the when BH2F- Lewis acids co-ordinate Computer Prediction of Organic Large Scale Facility programme, to aldehydes can be explained by Crystal Structures” and the reasons please visit our web site at invoking an anomeric effect trans for and methods of predicting http://www.studsvik.uu.se. to the fluoride together with crystal structures prior to the from Rob McGreevy hydrogen bonding from the synthesis of the target compound.

25 CCG Autumn Meeting Report SmithKline Beecham, Harlow

An electrostatic molecular model surface is not at equilibrium - steps LS and so can get stuck in false calculated in the gas phase on the surface are the most minima - LS is a “downhill only” followed by lattice energy energetic parts of the crystal. In process; simulated annealing is used minimization ignoring thermal particular, he studied N-methylurea to surmount this limitation. He effects (which gives rise to small because different orientations of continued by discussing difficult to errors in the cell lengths of around the crystal can be represented solve structures, which usually fall 3-6%). MOLPAK is used for the easily. Both numerical and Monte- into at least one of three packing search. In some cases, e.g. Carlo methods were employed to categories, i.e. those with many 5-aza-uracil, the packing motifs investigate the relationships degrees of freedom, those with predicted agree well with the between the calculated parameters, more than one molecule in the crystal structure found supersaturation and the crystal asymmetric unit, and those which experimentally. However, similar morphology. He showed that not have heavy atoms in the AU along compounds such as 6-aza-uracil only can the shape of the growth with flexible fragments formed by give rise to many predicted step and the step velocity be much lighter atoms. He finished hydrogen bonded structures. While predicted, but also that the crystal with the example of PEO6 the experimentally determined growth rate (giving the (polyethylene oxide structure is not the global morphology) can be derived from a hexamer):LiAsF6; with 50 atoms in minimum, it is very similar; when linear function, and this can be AU, and 79 variables including 15 thermal libration is added to the measured directly via laser torsion angles, it is the most model, the two become more or interferometry. complex powder structure solved to less indistinguishable. date. Peter Bruce (St Andrew’s) explained The same conformer of that “Challenging Structures solved Colin Seaton (Birmingham) paracetamol has two known from Powder Data”, were tackled continued the theme by describing polymorphs, P21/c (form I, mainly for systems for which single “Investigating intermolecular commercially important) and Pbca crystals are not available, e.g most contacts using POSSUM”; these (form II, metastable). Ab initio polymers. Powder data are limited help to explain the crystal packing, modelling predicts these forms as when compared to single crystal which in turn determines the bulk the two lowest energy forms, but measurements, for example peak properties. Data from powders do another polymorph (Form III) is overlap is a more serious problem, not usually provide accurate unstable and only observed in the peaks have an overall lower enough geometric data for melting experiments under a cover intensity, and there is inferior signal molecular structure solution. slip; of 12 structures predicted to noise ratio. Historically, the POSSUM uses a direct space within 10kJ/mol of each other, any problem has been approached in iterated Monte-Carlo algorithm; could be form III. Morphology reciprocal space, using methods solutions are evaluated, rejected or predictions made on the basis of adapted from single crystal accepted according to pre- attachment energy improve the methods, e.g. Patterson, Direct and determined criteria and the process models (e.g. very slow growth in Maximum entropy methods. As repeated until either a suitable one direction results in “hard to they all require considerable user result is gained or the scientist grow” crystals). This information intervention and hard work, they needs the computing resources for could be used to reduce the cannot be considered as routine. a more tractable problem. He number of candidates for form III, Rietveld analysis is a refinement demonstrated the ease of setting bearing in mind the predictions do technique and is not a method of up a POSSUM structure solution not include contributions from structure solution. Direct space job, and showed a number of pressure. methods have been introduced examples of molecules solved by more recently and include the program. Boris Shekunov (Bradford) took up techniques based primarily on the theme of using crystal growth Simulated annealing (SA), Bill Clegg (Newcastle) introduced energetics to explore “New Rudimentary Monte-Carlo methods, Acta Crystallographica E; further Approaches in Prediction of Surface Genetic algorithms and adaptations details are in his BCA News article Energetics and Growth Anisotropy of these using integrated in December 2000. In a nutshell, of Molecular Crystals”. Working intensities. The number of Acta E will be taking over from from known structures, several structural models generated by Acta C electronic papers in order to different aspects of crystal Monte Carlo methods is too large provide rapid and efficient behaviour are used to calculate for all to be analysed thoroughly; a publication. growth characteristics. He pointed straightforward way to reduce it is out that although attachment to use rigid bodies and make use of Guy Orpen (Bristol) described the energy theory states that the crystal chemical geometrical information. importance of “Structural shape is at equilibrium, and that Even with a random model start, Systematics in Molecular Inorganic growth rate is proportional to the Rietveld Refinement cannot be Chemistry”. A new science is surface energy of the crystal, the used for structure solution as it uses developing in the study of

26 BCA Industrial Group Autumn Meeting Report

collections of structures in the previously obtained single crystal major databases. An obvious use is Crystallography structures of the monoclinic for obtaining typical molecular dihydrate and orthorhombic dimensions, and these can then be in Industry anhydrate. Comparison of the two used in model building, both for monoclinic forms clearly validation and calibration. Roche Discovery, demonstrated the dramatic Welwyn Garden City, changes that can result from The molecular flexibility in 1 November 2000 ingress of water into channels in structures is apparent from data the structure. The changes in mining, e.g. Metal complexes are inversion symmetry for the soft - M-L vary by 0.1 - 0.2Å, angles anhydrous forms suggest that by 1 -2°, torsion angles by 10 - 20°. there may be a racemic to Clear correlations between enantiomeric transition. dimensions have been determined in different types of compounds, The BCA representative to ICDD, e.g. C-P-C angles and P-C bond David Taylor, described the role of lengths in Transition metal the ICDD and how its membership phosphine complexes. In many Brett Cooper (Merck Sharp & is made up. He then gave a report cases the observations correlate Dohme) opened the meeting with on recent developments within well with calculations based on a case study showing how powder ICDD. These included the move standard theories, e.g. VSEPR. diffraction, although not often the away from paper products to a Conformational variations can also technique of choice, can be used range of Relational Database CD- be followed. Further, as a quantitative tool for ROM’s thus reducing costs, intramolecular bonding patterns monitoring polymorphic electronic purchasing, workshops become apparent when the CSD is conversion in both drug substance and conferences, and new licences. studied. and product. He discussed the inherent problems of powder Following lunch, provided by Reaction pathways investigated via diffraction for this application, Roche Discovery, the afternoon analysis of structure correlation such as preferred orientation, and session opened with Dr Steve include metal cluster how this had been approached. He Norval who presented the rearrangements and halide concluded with an insight into the Industrial Group Award to Dr exchange at Sb. However, the thermodynamic relationship David Dyson for his contribution Potential Energy hypersurfaces between the two forms, and to the field of X-ray diffraction. calculated are not unique and have evidence suggesting that the a non-Boltzmann distribution, so The Industrial Group Award conversion arose from some caution must be employed. Lecture which followed gave a recrystallisation in the presence of fascinating insight into the life of water rather than a solid-state Investigation of anecdotal evidence a practitioner of X-ray diffraction transition. of some specific intermolecular over the years with an emphasis interactions has shown that some Progress in indexing powder on the measurement of texture. do not occur, e.g. organochlorines diffraction patterns was presented do not hydrogen bond. by Robin Shirley (University of Steve Norval (ICI) then provided an “Supramolecular synthons” Surrey). This included an update on the progress towards identified in the CSD have been introduction to why indexing can the release of an EU Standard used to influence the packing in the be difficult and a comprehensive covering X-ray diffraction. A crystal structures of new survey of the algorithms available standard is required as there is compounds, and provide an and their relative strengths and currently no National or analogy with hydrogen bonding. weaknesses, and an update on the International point of reference to progress of Industrial CrysFire. He encourage good practice, and to The current prospects of further concluded with a demonstration act as a point of reference. The advances are bright; methods are of CrysFire. General Principles section will be developing quickly and the main the first part to be released; source of data, the CSD is expected Chris Frampton (Roche possibly this year. Its release will to double in size over the next ten Pharmaceuticals) presented recent impact on all uses of X-ray years. zopiclone results as an update to equipment working in a regulated Harry Powell his presentation at the Spring arena. CCG Secretary/Treasurer Meeting. This included elucidation of the crystal structure of the Judith Shackleton (Manchester anhydrous monoclinic form from Materials Science Centre) provided synchrotron powder data, a report on the Structural enabling comparison with the Materials Workshop held earlier in

27 Book Reviews

the year. The workshop was seen crystal structure as part of the 1951 as a big success in bringing Geometric symmetry Festival of Britain reprinted on together people who work in this page 22 of the last issue of field and covered the pros and in patterns and ‘Crystallography News’. cons of sample preparation techniques. Finishing, Judith made tilings The author is a mathematician a request for ideas to be made for who gained her PhD from the future meetings. by Clare E. Horne University of Leeds in the combined disciplines of Dr Liz Town-Andrews (DARTS) Publisher mathematics and design. She reported on the workshop held in Woodhead Publishing thinks that good textile designers October to communicate their 23 October 2000 £95 US $157 intuitively understand that their objectives to industry. Liz related ISBN 1 75573 492 3 patterns are more satisfying if they that a lot had been done to make 256 pages hardback size 215 x 303mm obey the geometric symmetry and the facility much more accessible translation rules summarised in the to industry and that they now able Introductory text books of 17 plane groups so she has written to offer a service based on a crystallography often contain a this book in an attempt to help all charge per sample or problem. An short chapter on the 17 plane designers to improve their work by example of this service is afforded groups but they rarely have space a better understanding of the by station 9.8, which deals with to go into detailed explanations geometry. She assumes that micro diffraction. They will now, and give illustrations of patterns of designers have no formal on the basis of no success no each type, before going on to the mathematical training and tries to charge, attempt to solve the more complex three-dimensional explain from first principles how crystal structure from very small space groups. This can leave some each plane group is formed by crystals (>20mm in all dimensions); students unable to understand the translation, rotation and reflection. the cost of success £4000. subtleties of the more complex The usual crystallographic notation groups. This book could be an is used for the groups and methods Paul Tattersall (NRPB) gave an excellent reference work for a are given for the construction of update on the impact of IRR-99 library where students of designs based on each group. which became effective from 13th crystallography (or those studying May 2000. it as part of courses in chemistry, The content of this book makes it materials science, earth sciences an excellent teaching aid, The legislation covers employers etc.) can study the two particularly for those students with intending to use electrical dimensional patterns in greater little mathematical training. equipment to produce X-rays for detail to become familiar with the Unfortunately, there are problems industrial radiography, processing symmetry and other operations of poor layout on the page and in of products, research and finally involved in their production. the reproduction of the figures, exposure of persons for medical which I did not expect, in such an There are 6 chapters: Introduction, treatment accelerators (except expensive book. Classification of design by electron microscopes). Kate Crennell symmetry group, Classification of The regulation covers Prior January 2001 design by symmetry group and Authorisation, Notification of design unit, Classification of Work, Prior Risk Assessment, discrete patterns, Classification of Restriction of Exposure, isohedral tilings and Summary and Nanotechnology Engineering Controls, Dose conclusions. Each chapter has its Limitations and Contingency Plans. own summary and list of Mechanical and Philip Lake references. The book has over 1000 Clare Anderton illustrations of two dimensional Electronic Systems on patterns and includes simple instructions on how to create them. Most of the diagrams are a Molecular Scale original; they were made using the Publisher Harvard Graphics package, which Institute of Physics the author found rather inflexible. ISBN 07503 0749 8. On page 37 there is a useful flow diagram for symmetry group identification of ditranslational It is the first in a new series of designs. It would be interesting to Briefs designed to provide try this on the design based on a technical updates on current

28 2001 ENSA/Walter Hälg Prize

applications of physics targeted at the non-specialist. This one is a for the 2001 Forthcoming useful description of the ‘state-of- the art’ in nanotechnology; a term ENSA/Walter Hälg BCA meetings which means different things to different people; this brief focuses Prize for European on the manufacture of nanoscopic electronic and mechanical systems Neutron Scattering by molecular assembly. There is no attempt to cover making designer The European Neutron Scattering proteins or the wide use of Association (ENSA) are pleased to nanotechnology in materials announce that the nominations for development, although the the second ENSA Walter Hälg Prize authors realise that perhaps some for European Neutron Scattering Industrial Group of the most promising lines of are now open. The detailed Pharmaceutical SIG meeting development come in areas which guidelines of the ENSA Walter 7th June 2001, GlaxoSmithKline, span these boundaries.There are Hälg Prize are listed on the ENSA Harlow plenty of illustrations and a page web pages (www.psi.ch/ensa). of ‘Further reading’ both in This one day meeting of the journals and on the Internet. Nominations for the 2001 Walter Pharmaceutical Special Interest Hälg Prize of the European Two general references are: Group will follow the well tried Neutron Scattering Association formats of previous meetings of the The Institute of Nanotechnology (ENSA) may be submitted by group by bringing together a range http://www.imm.ord/index.html European scientists as individuals of speakers on subjects of topical The Institute for Molecular or on behalf of a Division, Section interest. The programme Manufacturing or Group. To establish a high information will be updated on the http://www.nano.org.uk standard it is necessary that the BCA web site as speakers and titles Committee receive proposals that are confirmed. There is still space in The one on Nanotubes at represent the breadth and the programme for contributions http://www.pa.msu.edu/cmp/csc/na strength of European neutron relevant to Industrial notube.html has links to Richard scattering. Nominations should Crystallographers. For more Smalley’s home page where you include the motivation for the information, or to offer a can read his 1996 article From Balls award, a brief curriculum vitae of presentation of interest or please to Tubes to Ropes: New Materials the nominee and a short list of contact: from Carbon a very readable major publications. Letters of Dr C L Anderton account of the discovery of carbon support from authorities in the GlaxoSmithKline, New Frontiers nanotubes and their subsequent field which outline the importance Science Park (North), development. of the work would also be helpful. Third Avenue, Harlow, Nominations for the prize will be Essex CM19 5AW This interesting booklet is treated in confidence and Tel: 01279 627376 available free to members of the although they will be Fax: 01279 627374 Institute of Physics just send an acknowledged there will be no Email: [email protected] email to [email protected] further communication. It should quoting your membership be further noted that all number. unsuccessful nominations for the The price to non-members is £7.50. 1999 Prize will receive automatic Chemical Crystallography Order from Emma Woods, Institue reconsideration for the 2001 Prize. Group of Physics, 76 Portland Place, Nominations should sent by post Autumn Meeting London W1B 1NT before 12 June 2001 to the Mesomolecular Crystallography Kate Crennell Chairman of the Selection Wednesday November 14, 2001 14 November 2000 Committee: The CCG Autumn meeting 2001 will take place at Aston University on Editors Note: Professor Bob Cywinski Wednesday November 14, 2001 and More articles and information Chairman of the European is entitled “Mesomolecular about Nanotechnology is available Neutron Scattering Association crystallography”. It will focus on in the Department of Physics and methods and experiences of Annual Report 1999-2000 Astronomy structure solution, refinement and CLRC Daresbury Laboratory University of Leeds results for large small molecules. at http://www.srs.dl.ac.uk/ Leeds LS2 9JT The local organiser is Carl Schwalbe Annual_Reports/ UK (e-mail: [email protected]).

29 BCA Meetings

Offers of short presentations at the PCG Autumn Meeting meeting should be sent to the Applications of high pressure in Summary of Forthcoming scientific session organiser: structural studies Professor Paul R. Raithby, December 2001 Meetings 2001 Department of Chemistry, University of Bath, The Autumn 2001 meeting of the Bath BA2 7AY, If you notice any errors or have PCG will be a one-day meeting Tel: (01225) 826444 covering the wide-ranging news of any meetings to add to Fax: (01225) 826231 the Meetings List please send E-mail: [email protected] applications of high pressure techniques in the study of crystal them to the BCA Web Master structure, to be held in December [email protected] 2001. Date and location to be or to the Editor, Jo Jutson, 4, PCG Rietveld refinement finalised, but the meeting will workshops include scientific presentations, Henlle Gardens, Gobowen, Introduction to the principles and brief accounts of the latest Oswestry, Shropshire, SYLL 3NU practice of Rietveld refinement technical advances in pressure (more meetings listed on BCA 17-18 October 2001 (provisionally) techniques for both X-ray and website) Rutherford Appleton Laboratory, neutron diffraction, and a chance Oxfordshire to view some of the advanced high pressure kit currently being April 16 - 18, 2001 In Autumn 2001, the PCG will begin made available on laboratory and Accuracy in Powder Diffraction III, a series of tutorial workshops on central facility sources.More details GAITHERSBURG, MD, USA powder diffraction profile will be available in the next issue [e-mail: [email protected]] refinement methods. This of Crystallography News and on technique, much used and a vital the PCG Website. For more component of much of physical May 23 - June 3, 2001 information on the meeting International Course in Crystallography, crystallography, is very powerful contact the organiser: but if improperly used can lead to ERICE, Siciliy, 32nd Course:Strength from Weakness : problems both in the refinement Dr David Allan process itself and in the resulting Structural Consequences of Weak (University of Edinburgh; structural models. The aim of these Interactions in Molecules, [email protected]) or the PCG workshops is to provide a general Supermolecules and Crystals.[Details on Secretary Chick Wilson introduction to the method and its the Web site or from Paola Spadon, ([email protected]). applications. They are aimed both Exec. Secretary, Int. School of at those new to the technique, Crystallography, Dept. Organic particularly research students and Chemistry, Via Marzolo 1, 35131 Padova, post-docs, and those who feel the Summer School in Protein Italy; fax: +39 049 8275 239 email need for a refresher.The first of Crystallography [email protected] ] these workshops will be held in St. Andrews October 2001 at the Rutherford CCP4 will be in large part June 7, 2001 Appleton Laboratory, and will be sponsoring the summer school in BCA Industrial Group, Pharmaceutical two-day event introducing the protein crystallography held in St. SIG Meeting, GlaxoSmithKline, New basics of profile refinement using Andrews. Provisional dates are Frontiers Science Park, Harlow[For the Rietveld method. The workshop Sunday 9th Sept to Saturday 15th further information contact:Dr C L will include introductory lectures, Sept. A call for applicants will be Anderton, GlaxoSmithKline, New demonstrations and hands-on issued by email to CCP4BB and on Frontiers Science Park (North), Third examples. The local organisers will Avenue, Harlow, Essex CM19 5AW Tel: be Chick Wilson and Kevin Knight http://speedy.st-and.ac.uk The course is intended for either 01279 627376 Fax: 01279 627374 Email: (RAL), with external input from [email protected]] Jeremy Cockcroft (Birkbeck) and 1st year Ph.D. students or post- others. Local overnight docs who have transferred into Structural Biology. Numbers are June 13 - 15, 2001 accommodation will be available. 10th Annual Meeting of the DL CCP on Full details including speakers will limited. Your supervisor will have to send a letter of nomination to Fibre and Non-Crystalline Diffraction, be announced on the Web site as STIRLING, Scotland [arranged by CCP13 they develop. either Jim Naismith (naismith@st- details will be posted at Contact Chick Wilson and.ac.uk) http://www.dl.ac.uk/SRS/CCP13 as soon ([email protected]) for more or Garry Taylor as they are available] details. ([email protected])

30 New Corporate Members

Summary of Forthcoming Corporate Members Meetings 2001 cont. Bede Scientific Instruments Ltd Molecular Structure Corporation June 21 - 24, 2001 10th Croatian-Slovenian Crystallographic Cambridge Crystallographic Meeting Lovran, Croatia, Data Centre Oxford Cryosystems Website http://www.chem.pmf.hr /~hkz/lovran01/ [ Details from Stanko Hampton Research Philips Analytical POPOVIC [email protected], Phone: ++385-1-4605-549, Fax: ++385-1- International Centre for 4680-336] Diffraction Data

July 9-12, 2001 Scattering Methods for the Investigation of Polymers, Institute of Macromolecular Chemistry, Academy of Sciences of the BCA Corporate Membership Czech Republic, PRAGUE. [Details from Institute of Macromolecular Chemistry, The BCA values its close ties with commercial companies involved Academy of Sciences of the Czech with crystallography. To enhance these contacts, the BCA is Republic, P.M.M. Secretariat, pleased to announce that they are now offering Corporate Heyrovskeho nam. 2,162 06 Praha 6, Membership. Czech Republic, Phone: +420-2-204 03 332, Fax: +420-2- Corporate Membership is available on an annual basis running 35 35 79 81, E-mail: [email protected] from 1 January to 31 December and includes the following benefits: July 24 - 29, 2001 ISSCG-11 School on Crystal growth, • Up to 10 free BCA memberships for your employees. KYOTO, Japan [email: [email protected]] • A 10% discount on exhibition stands at the annual Spring Meeting. July 29 - August 3, 2001 ICVGE-11 International Conference on • Free insert in the annual Spring Meeting delegate bag. Crystal Growth 13 in conjunction with Vapour growth and Epitaxy -11, • Two free full registrations to the annual Spring Meeting. KYOTO, Japan [email: [email protected] ] • Ten complimentary copies of the quarterly BCA Newsletter.

July 30 - August 3, 2001 • Corporate Members will be listed in every BCA Newsletter and Denver X-Ray Conference, on the BCA Web Site with links to your corporate site. STEAMBOAT SPRINGS, CO, USA [ Advance information indicates special The cost of this membership is £600.00 per annum emphasis on SAS methods, especially in polymers, details at http://www.dxcicdd.com/ ] To apply for Corporate Membership, or if you have any enquiries, please contact: August 1 - August 3, 2001-01-22 Neutron and Hard X-ray Optics and BCA Administrative Office Applications, San Diego, CA, USA [ Northern Networking Ltd Further information from IUCr Web Bellway House site] 813 South Street Glasgow August 25 - 31, 2001 G14 0BX ECM 20, XXth European Crystallographic Meeting, KRAKOW, Phone 0141 954 4441 Poland Fax 0141 954 2656 [email; [email protected] ] e-mail [email protected]

31 ANNOUNCEMENT New Products for Protein Crystal Growth

Clear Strategy™ Screens I & II Two new crystal growth screens offering rational planning of experiments, full control of pH, cryoprotection, and more. Developed by the York Structural Biology Laboratory Additive Screen 24 popular crystal growth additives in a box and ready to use. XRL™ Plate A raised lid Linbro style plate manufactured in the UK. No transatlantic shipping costs. Also available pregreased or use a Grease Machine CrystalClene™ Slips The plastic coverslip guaranteed clean and RNase free. Now available round or square Gelled-Surface™ Crystallization An improved approach to containerless crystallisation for optimisation 3D Structure Screen™ A two step crystal growth trial. Separate nucleation from crystal growth for fewer, larger crystals Saradakis & Chayen (Protein Science (2000), 9:755-757

Molecular 61 - 63 Dudley Street, LUTON, See the web site for details of these and all our products. BEDS., U.K. LU2 0NP Dimensions Tel & Fax:+44 (0)1582 482245, www.m-d-l.demon.co.uk email: [email protected], Limited www.m-d-l.demon.co.uk

Suppliers of kits and reagents for biomolecular structure research