Industrial Group meetings in 2003

• BCA Spring Meeting 15-17 April 2003, University of York
  
  • Highlights
  • Suggested Itinerary
  • Workshop - Phase Identification 15^th - 16^th April 2003
  • Parallel Session : 16^th April "High Throughput, Databases and Data Mining in Chemistry and Industry"
  • Workshop - Quantitative Phase Analysis 17^th April 2003
  • Industrial Group Posters
  • Industrial Group AGM 16^th April 2003 at 14:30

There is considerable overlap with the Groups at this meeting and it important that you review the full programme. This section is devoted entirely to content for which the Industrial Group is solely responsible.

BCA Spring Meeting 2003.

University of York, 15-17 April 2003

Industrial Group Highlights

The IG has put together a comprehensive programme based on membership feedback in our recent survey.
You have the opportunity to get some real value for money (less than £100 per day full board!) training from world class experts for yourself, a trainee or student.
There is something to keep you occupied over the full three days including a comprehensive exhibition featuring all the major suppliers, a real chance to update your product knowledge in a fast changing market place.

You need to check out the BCA meeting pages for details of the full programme.

IG highlights Timetable (PDF) With IG details highlighted in the full meeting programme.

A Suggested Itinerary

Tuesday 15th April 2003

13:30 - 15:00 Plenary Session:
ICCD's PDF-4 Databases: Search Indexes, Full Pattern Analysis and Data Mining.- John Faber- Principal Scientist, ICDD.

15:30 - 16:00 IG Oral Poster Session

16:05 - 17:45 Introduction to Powder Diffraction

Evening - 19:00 Posters and Exhibition.

Wednesday 16th April 2003

Morning 8:30 - 10:00 Workshop: Phase Identification Principles

10:30 - 12:00 Parallel Session : "High Throughput, Databases and Data Mining in Chemistry and Industry"

Afternoon13:00-14:30 and 15:30-16:30 - Workshop: Phase Identification Practice - including hands on PC session

14:30 - 15:00 Industrial Group AGM

Evening - 19:30 Conference Dinner

Thursday 17th April 2003

All Day Sessions - Quantitative Phase Analysis

Jeremy Cockcroft - Quantitative Phase Analysis using Rietveld Methods
Chris Dallman - Quantitative Phase Analysis using Classical PXRD Methods
Geoff Mitchell - Quantitative Analysis with Amorphous Materials
Claire Anderton - Quantifying Crystalline Phases by Vibrational Spectroscopy
David Middleton - NMR analysis of the structure and composition of organic solids

The afternoon will be devoted to discussion of the Quantitative Round Robin exercise

Individual Session Details Follow

Workshop - Phase Identification

Principal Instructor: John Faber ICDD

Organisers: Judith Shackleton & Dave Taylor

Session 1: Tuesday 16:05 - 17:45 Introduction to Powder Diffraction

Powder Diffraction is a widely used technique for identifying and quantifying phases of polycrystalline materials in industry and academe. This session introduces the Phase Identification and Quantitative workshops by explaining some of the fundamentals of the technique so that those who are not fully versed in the method will gain the necessary background to get maximum benefit from the following sessions. Even the more experienced will find this session useful - there is always something new to pick up from the expertise of our world renowned instructor!

Session 2: Wednesday 08:30 - 10:00 Phase Identification Principals

This break allows delegates to attend a relevant session on Databases & Data Mining

Session 3: Wednesday 13:00 - 14:30 Phase Identification in Practice

Session 4: Wednesday 15:30 - 16:30 Phase Identification worked examples on PC's

This modular workshop spanning the first two days of the Spring Meeting has emphasis placed on the practical use of powder diffraction phase identification. The modules are linked to give a good grounding in best practice for phase identification and are suitable for both novice and experienced practitioners. You can choose to attend any of the modules that fit into your meeting schedule. For those who attend all the sessions an optional certificate of attendance is available for your professional development file.

The purpose of this workshop is to build proficiency in the interpretation of experimental powder data, especially in the application of the Powder Diffraction File (PDF) and new relational databases.

• The type of information the database contains.
• Its history.
• The way this information is organised.
• How data may be retrieved and interpreted.
• How to collect experimental data.
• How interpretation is affected by accuracy of experimental data.
• How to detect and understand common instrumental and specimen induced errors.
• How new relational databases extend search options.

Hands on work sessions will allow you to become familiar with the application of both printed and computer media to phase identification.

For further information, please contact
Dave Taylor
Tel: 01744 893108
E-mail: [email protected]
or
Judith Shackleton
Manchester Materials Science Centre
Tel: 0161 200 3581
E-mail: [email protected]

Parallel Session : "High Throughput, Databases and Data Mining in Chemistry and Industry"

Wednesday 16 April 10:30 - 12:00
Chair: Sandy Blake (University of Nottingham)

10:30 David Rendle - (The Forensic Science Service, London Lab.)
Database Use in Forensic Analysis

11:00 Richard Storey - (Pfizer)
Automation of solid form screening procedures for the pharmaceutical industry and how to avoid the bottlenecks

11:30 Mariette Hellenbrandt - (FIZ Karlsruhe)
The Inorganic Crystal Structure Database (ICSD) - present and future

Workshop - Quantitative Phase Analysis

08:30 - 12:00 17^th April 2003

08:30 Quantitative Phase Analysis using Rietveld Methods
Jeremy Cockcroft
Birkbeck College, London.

09:15 Quantitative Phase Analysis using Classical PXRD Methods
Christopher I. Dallman
Pfizer Global R& D, Pharmaceutical R&D,
Ramsgate Road, Sandwich, Kent, CT13 9NJ

Powder X-Ray diffraction (PXRD) can be used to quantify the phase content of a crystalline mixture. Here the methods and limitations of the technique will be described with particular reference to pharmaceutical materials.

10:00 Coffee

10:30 Quantitative Analysis with Amorphous Materials
Geoff Mitchell
University of Reading

11:00 Quantifying Crystalline Phases by Vibrational Spectroscopy
Clare L. Anderton
GlaxoSmithKline, Medicines Research Centre,
Gunnels Wood Road, Stevenage, Hertfordshire. SG1 2NY

Vibrational spectroscopy (infrared and Raman) may be used to identify and characterise mixtures of crystalline forms. This talk will give an overview of the techniques, their applicability to quantitative analysis, and experimental applications.

11:30 NMR analysis of the structure and composition of organic solids.
David Middleton - to be confirmed
Department of Biomolecular Sciences,
UMIST, PO Box 88, Manchester, M60 1QD, UK

This talk will give an overview of how cross-polarization magic-angle spinning NMR is used to determine the crystallographic and chemical purity of small molecules in the solid state. Also an illustration will be given of how solid-state NMR can contribute to structure solution from powders, and also of a new NMR approach for following the structural rearrangements of molecules during crystallisation.

Workshop - Quantitative Round Robin

13:30 - 15:00 17^th April 2003

The afternoon will be devoted to discussion of the Quantitative Round Robin exercise.

Dr J.K.Cockcroft for the inorganic sample (a mixture of Rutile and Anatase TiO₂) and Prof. C. S. Frampton for the organic sample (mixture of paracetamol and lactose).

More details soon!

Industrial Group Posters

Posters are invited for display at the Spring Meeting. As an extra incentive to your participation, in addition to the acclaim that your poster will no doubt bring, the Industrial Group are offering a magnificent prize of £50 for best poster.

Some guidelines follow for what we would prefer to see in our posters and our adjudicators will work from these.

Posters are encouraged that:

• are relevant to industry (including some background and value of the work to industry)
• have clear aims, results and conclusions
• concentrate on telling the story, rather than fine detail
• are not an advertisement for a commercial product

There will be an opportunity to give a brief oral presentation of the content of each poster.

For more information, contact:

Industrial Group AGM

The 20^th ANNUAL GENERAL MEETING of the Industrial Group will be held at the University of York at 14:30 on 16^thApril 2003

Nominations are sought for Secretary/Treasurer and four committee member to serve for three years from April 2003.

Nominations, which shall be proposed by not less than two members of the Group and shall be accompanied by the written consent of the nominee, shall be sent to reach the Honorary Secretary of the Group not later than seven days before the Annual General Meeting.

Contact the Secretary/Treasurer