PPXRD-3 - 23-25 February 2004! HILTON HEAD ISLAND, South Carolina, USA brought to you by the International Centre for Diffraction Data MAKE THE MOST OF YOUR XRPD DATA! Secure fast development of drug candidates Obtain reliable data for regulatory submissions Provide the right data to support patent development PPXRD Thanks the following sponsors: 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 PPXRD-3 | Program | Register | Details | Abstracts | Exhibitors | Contact

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