PPXRD-3 - 23-25 February 2004!
HILTON HEAD ISLAND, South Carolina, USA
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PPXRD-3 Event Schedule

Monday, February 23

Time Type Title of Paper Speaker & Affiliation
8:30-9:00   WELCOMING REMARKS & INTRODUCTIONS John Faber, International Centre for Diffraction Data, Newtown Square, PA, USA
  Acquisition and Use of X-ray Powder Diffraction Data
Session Chair: Dr. Detlef Beckers, PANalytical, Almelo, The Netherlands
9:00-9:45 Invited ACCURACY IN POWDER DIFFRACTION MEASUREMENTS Robert L. Snyder, Georgia Institute of Technology, Atlanta, GA, USA
9:45-10:10 Contributed IN-SITU VARIABLE TEMPERATURE POWDER X-RAY DIFFRACTION AND THERMAL ANALYSIS Shawn Yin, Bristol-Myers Squibb Company, New Brunswick, NJ, USA
10:10-10:35 Contributed GENERATION OF ACCURATE X-RAY POWDER DIFFRACTION DATA OF A PHARMACEUTICAL COMPOUND FOR INCLUSION INTO THE INTERNATIONAL CENTRE FOR DIFFRACTION DATA (ICDD) POWDER DIFFRACTION FILE (PDF) Gerald Monger, GlaxoSmithKline, Research Triangle Park, NC, USA
10:35 - 11:05 Break    
11:05-11:30 Contributed FORMULATION ANALYSES OF OFF THE SHELF PHARMACEUTICALS Timothy Fawcett, International Centre for Diffraction Data, Newtown Square, PA, USA
11:30-11:55 Contributed RAPID COMBINATORIAL SCREENING BY TWO-DIMENSIONAL XRD Bob He, Bruker AXS, Inc., Madison, WI, USA
11:55 - 1:25 Lunch    


Afternoon Con't: Acquisition and Use of X-ray Powder Diffraction Data
Session Chair: Dr. Detlef Beckers, PANalytical, Almelo, The Netherlands
Time Type Title of Paper Speaker & Affiliation
1:50-2:15 Contributed NEW DETECTOR TECHNOLOGY FOR SUPER SPEED X-RAY DIFFRACTION Lutz Brügemann, Bruker AXS GmbH, Karlsruhe, Germany
  Powder Pattern Indexing and Pattern Matching
Session Chair: Dr. Daniel Louër, University of Rennes, Rennes cedex, France
2:15 - 3:00 Invited INDEXING: ALGORITHMS, ACCURACY, AND AB INITIO James Kaduk, BP Chemicals, Naperville, IL, USA
3:00 - 3:30 Break    
3:30 - 3:55 Contributed ADVANCES IN INDEXING OF POWDER DIFFRACTION PATTERNS: ITERATIVE USE OF LEAST SQUARES AND MONTE-CARLO BASED WHOLE POWDER PATTERN DECOMPOSITION Arnt Kern, Bruker AXS GmbH, Karlsruhe, Germany, speaking on behalf of Alan Coelho, Bruker AXS GmbH, Karlsruhe, Germany
3:55 - 4:20 Contributed INDEXING POWDER DIFFRACTION PATTERNS WITH THE DICHOTOMY ALGORITHM Daniel Louër, University of Rennes, Rennes cedex, France


Evening (6:00-9:00)                                                    Poster Session
Title of Paper Speaker & Affiliation
LAYERED STRUCTURE OF A MULTIPLE HYDRATE-FORMING PHARMACEUTICAL COMPOUND Yuan-Hon Kiang, Merck & Co., Inc., West Point, PA, USA
PREPARATION AND CHARACTERISATION OF GLIMEPIRIDE SOLID DISPERSIONS BY POWDER X-RAY DIFFRACTION AND DIFFERENTIAL SCANNING CALOROMETRY Y.S.R. Krishnaiah, Kuwait University, Safat, Kuwait
IN-SITU NANOSTRUCTURE MONITORING BY SMALL-AND WIDE-ANGLE X-RAY SCATTERING Peter Laggner, IBR, and Hecus X-ray Systems, Graz, Graz, Austria
DETERMINING THE RELATIVE SENSITIVITY OF X-RAY POWDER DIFFRACTION FOR IDENTIFYING AND MONITORING CRYSTAL FORM CHANGES OF ACTIVES IN SOLID DOSAGE FORMULATIONS Gerald Monger, GlaxoSmithKline, Research Triangle Park, NC, USA
ANALYSIS OF MANNITOL X-RAY DIFFRACTION PATTERNS Fangling Needham, International Centre for Diffraction Data, Newtown Square, PA, USA
AUTOMATIC PROCESSING AND PERFORMANCE QUALIFICATION (PQ) IN PHARMACEUTICAL APPLICATIONS Jeffrey Nicolich, PANalytical, Natick, MA, USA
SAXSess - AN ANALYTICAL TOOL FOR BIOMATERIALS Heimo Schnablegger, Anton-Paar GmbH, Graz, Austria
X-RAY POWDER DIFFRACTION AND SORPTION-DESORPTION INVESTIGATIONS OF INDAPAMIDE (WITHDRAWN) Matej Smrkolj, Krka, d.d., Novo Mesto, Slovenia
APPLICATION OF HIGH THROUGHPUT SCREENING TO THE STUDY OF THE CONFORMATIONAL POLYMORPHS OF "ROY" Gregory Stephenson, Eli Lilly and Company, Indianapolis, IN, USA
SINGLE CRYSTAL STUDIES OF MEFENAMIC ACID AS A TOOL TO UNDERSTAND POLYMORPHISM (WITHDRAWN) Vrushali Waknis, National Institute of Pharmaceutical Education & Research (NIPER), Punjab, India


Tuesday, February 24

Morning Structure Determination, Rietveld Refinement and Molecular Modeling
Session Chair: Dr. Peter Stephens, State University of New York, Stony Brook, NY, USA
Time Type Title of Paper Speaker & Affiliation
8:30 - 9:15 Invited IDENTIFICATION AND CRYSTAL STRUCTURE SOLUTION OF STABLE AND METASTABLE PHARMACEUTICAL COMPOUNDS USING X-RAY POWDER DIFFRACTION DATA William David, CCLRC Rutherford Appleton Laboratory, Oxon, U.K.
9:15 - 10:00 Invited CRYSTAL STRUCTURE SOLUTION AND REFINEMENT OF A SERIES OF D2/Β2 RECEPTOR AGONISTS USING LABORATORY X-RAY POWDER DIFFRACTION DATA Kenneth Shankland, ISIS Facility Rutherford Appleton Laboratory, Oxon, U.K.
10:00 - 10:30 Break    
10:30 - 10:55 Contributed ANALYSIS OF SHORT RANGE ORDER IN X-RAY AMORPHOUS INDOMETHACIN USING X-RAY POWDER DIFFRACTION AND PAIR-WISE DISTRIBUTION FUNCTIONS Simon Bates, SSCI, Inc., West Lafayette, Indiana, USA
10:55 - 11:20 Contributed RECENT ADVANCES IN STRUCTURE SOLUTION FROM POWDER DIFFRACTION DATA Cikui Liang, Accelrys, Inc., San Diego, CA, USA
11:20 - 11:45 Contributed CRYSTAL STRUCTURE OF D-MANNITOL HEMIHYDRATE Cristian Botez, Brookhaven National Laboratory and Stony Brook University, Upton, NY, USA
11:45 - 1:15 Lunch    


Afternoon Con't: Structure Determination, Rietveld Refinement and Molecular Modeling
Time Type Title of Paper Speaker & Affiliation
1:15 - 1:40 Contributed STRUCTURE DETERMINATION OF AMBUIC ACID WITH SYNCHROTRON POWDER DIFFRACTION AND SOLID-STATE NMR Yuegang Zhang, Argonne National Laboratory, Argonne, IL, USA
1:40-2:05 Contributed THE CRYSTAL STRUCTURE OF GUAIFENESIN, 3-(2-METHOXYPHENOXY)-1,2-PROPANEDIOL James Kaduk, BP Chemicals, Naperville, IL, USA
  Process Analytical Technology
Session Chair: Dr. Peter Varlashkin, GlaxoSmithKline, Research Triangle Park, NC, USA
2:15-3:00 Invited USE OF X-RAY POWDER DIFFRACTOMETRY TO MONITOR PHASE TRANSITIONS DURING PHARMACEUTICAL PROCESSING Raj Suryanarayanan, University of Minnesota, Minneapolis, MN, USA
2:50 - 3:20 Break    
3:20 - 3:45 Contributed POLYCAPILLARY X-RAY OPTICS ENABLED DIFFRACTION-BASED PROCESS DIAGNOSTICS AND CONTROL Simon Bates, SSCI, Inc., West Lafayette, IN, USA, speaking on behalf of Walter Gibson, X-ray Optical Systems, INC., East Greenbush, NY, USA
3:45-4:10 Contributed IN SITU XRPD OF COMPACTS AS A POTENTIAL NON-DESTRUCTIVE ANALYTICAL TECHNIQUE FOR DETECTING PROCESS INDUCED PHASE CHANGES Peter Wildfong, Purdue University, West Lafayette, IN, USA
4:10-4:35 Contributed DEHYDRATION AND RE-HYDRATION OF TREHALOSE STUDIED BY HUMIDITY CONTROLLED SIMULTANEOUS MEASURING INSTRUMENT FOR X-RAY DIFFRACTOMETRY AND DIFFERENTIAL SCANNING CALORIMETRY(XRD-DSC) Richard Ortega, Rigaku/MSC, Inc., The Woodlands, TX, USA


Wednesday, February 25

Morning Polymorph Characterization by XRPD
Session Chair: Dr. Shawn Yin, Bristol-Myers Squibb, New Brunswick, NJ, USA
Time Type Title of Paper Speaker & Affiliation
8:30-9:15 Invited POLYMORPHS AND OTHER CRYSTAL FORMS: WHAT'S IN THAT POWDER? Raymond Scaringe, Bristol-Myers Squibb, New Brunswick, NJ, USA
9:15-9:40 Contributed PHARMACEUTICAL POWDER X-RAY DIFFRACTION: FROM DESIGN TO FINAL SELECTION OF A DEVELOPABLE MATERIAL Julien Giovannini, AstraZeneca R&D, Scheelavagen, Lund, Sweden
9:40-10:05 Contributed IDENTIFICATION OF POLYMORPH TYPE AND PREDICTION OF MATERIALS PROPERTIES FROM LABORATORY X-RAY POWDER PATTERNS USING INDEXING AND ELECTRON DENSITY CALCULATIONS Igor Ivanisevic, SSCI, Inc., West Lafayette, Indiana, USA
10:05 - 10:35 Break    
10:35-11:00 Contributed POLYMORPHIC FORM SCREENING USING X-RAY POWDER DIFFRACTION Gregory Stephenson, Eli Lilly and Company, Indianapolis, IN, USA
11:00 - 11:25 Contributed INFLUENCE OF EXPERIMENTAL CONDITIONS ON THE PHASE TRANSITIONS OF Α, Α -TREHALOSE Detlef Beckers, PANalytical B.V., Almelo, The Netherlands
11:25 - 12:55 Lunch    


Afternoon Regulatory and Patent Issues
Session Chair: Dr. Julien Giovannini, AstraZeneca R&D, Lund, Sweden
Time Type Title of Paper Speaker & Affiliation
12:55-1:40 Invited APPLICATIONS OF X-RAY POWDER DIFFRACTION TO REGULATORY ISSUES Peter Wildfong, Purdue University, West Lafayette, IN, USA
1:40-2:25 Invited PHARMACEUTICAL SOLID POLYMORPHISM - THE FDA VIEW Andre Raw, FDA - Center for Drug Evaluation and Research, Rockville, MD, USA
2:25 - 2:50 Contributed 21CFR PART11 - WHAT'S LEFT (FOR XRPD)? Arnt Kern, Bruker AXS GmbH, Karlsruhe, Germany
2:50 - 3:10 Break    
3:10 - 3:55 Invited POLYMORPHS AND PURITY AND PATENTS; OH MY. Michael Teschner, Lerner, David, Littenberg, Krumholz & Mentlik, Westfield, NJ, USA
3:55 - 4:15 Q&A/Closing Remarks    




Information on Past PPXRD Symposiums
PPXRD-2, December 9-12, 2002

PPXRD-1 - September 27-29, 1999

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