PPXRD-13 Program -

See Program information below for live links to abstracts!

PDF file is current as of April 2015. Information listed below includes any current updates.

PROGRAM
Click here to see the PPXRD-13 Program PDF

 

*WORKSHOP 18 May Monday (FULL DAY) - 8:30 – 17:00

Quantitative Phase Analysis by XRPD
Organizer & Instructors:
Arnt Kern, Bruker AXS GmbH, Karlsruhe, Germany, arnt.kern@bruker.de
Detlef Beckers, PANalytical, Almelo, The Netherlands, detlef.beckers@panalytical.com
Fabia Gozzo, Excelsus Structural Solutions SPRL, Brussels, Belgium, fabia.gozzo@excels.us
Robert Dinnebier, Max-Planck Institute für Festkoerperforschung, Stuttgart, Germany, r.dinnebier@fkf.mpg.de
Arnaud Grandeury, Novartis Pharma AG, Basel, Switzerland, arnaud.grandeury@novartis.com

This workshop will discuss the basis of quantitative phase analysis (QPA) for both single peak and whole pattern approaches. The focus will be on how to select and apply these methods, particularly in the context of the derivation of absolute phase abundances. The presence of poorly crystalline or amorphous content requires extension of the basic methods, but, once these are established, they can be shown to produce QPA to the similar lower limits of detection and accuracy as for crystalline phases.

SESSIONS

Tuesday (MORNING) *indicates presenter

Patent Issues
Chair: Julien Giovannini, AstraZeneca R&D, Sweden, julien.giovannini@astrazeneca.com

8:45

Welcoming Remarks from PPXRD-13 Organizing Committee Chairman
Tom Blanton
, ICDD, Newtown Square, PA, USA

8:55

Session Chair Opening Remarks

9:00

Invited – P15
Current Treatment of Crystalline Forms Under US and EP Patent Law

Jill K. MacAlpine*, Finnegan, Henderson, Farabow, Garrett & Dunner, LLP, Washington, D.C., USA

10:00

Break

 

Amorphous, Activated and Nano Materials
Chair: Tim Fawcet
t, ICDD, Newtown Square, PA, USA, fawcett@icdd.com

10:25

Session Chair Opening Remarks

10:30

Invited – P22
The Relationship Between Stability and X-ray Powder Diffraction Profile for Non-crystalline Solid Forms

Simon Bates*, D. Jonaitis, T. Capozzi, P. Stahly, Triclinic Labs, Lafayette, IN, USA

11:15

(P29) Studying Early Phase Separation Warning Signs for Spray Dried Disperse Materials
Shawn Yin*, D. McNamara, D. Pan, G. Crull, Bristol-Myers Squibb, New Brunswick, NJ, USA
P. Timmins, Bristol-Myers Squibb, Moreton, UK

11:45

(P24) Analyzing Amorphous and Nanocrystalline Materials by Full Pattern Analyses
Timothy Fawcett*, S.N. Kabekkodu, K. Zhong, A.M. Gindhart, J.R. Blanton, T.N. Blanton,
ICDD, Newtown Square, PA, USA

12:15

Lunch

 

SESSION

Tuesday (AFTERNOON) *indicates presenter

Qualitative and Quantitative Analysis
Chair: Tom Blanton
, ICDD, Newtown Square, PA, USA, tblanton@icdd.com

13:55

Session Chair Opening Remarks

14:00

Invited – P6
Crystal Structures of Large-Volume Commercial Pharmaceuticals with Z'>1

James Kaduk*, Illinois Institute of Technology, Chicago, IL, USA
J.W. Reid, Canadian Light Source, Saskatoon, Canada
R. Papoular, Leon Brillouin Lab., Saclay, France
K. Zhong, A.M. Gindhart, T.N. Blanton, ICDD, Newtown Square PA, USA

14:45

(P12) Problems/solutions of Polymorphism in the Daily Work of a Self-employed Service Laboratory
Martin Ermrich*
, X-ray Laboratory Dr. Ermrich, Reinheim, Germany

15:15

Break

15:45

Invited – P17
The Impact of Qualitative and Quantitative Synchrotron-XRPD Trace Analyses on the Characterization of Pharmaceuticals

Fabia Gozzo*
, Excelsus Structural Solutions SPRL, Brussels, Belgium

16:30

(P-28) ICDD Powder Diffraction File® Coverage of Polymers Used in Pharmaceutical and Biomedical Applications
Tom Blanton*, S. Gates
, ICDD, Newtown Square, PA, USA

17:00

End of Session

 

POSTER SESSION

Tuesday (EVENING) *indicates presenter
18:00 – 20:00

P7

In situ Formation of Pharmaceutical Cocrystal During Wet Granulation
Ondřej Dammer*, G. Sedmak
, Zentiva, k.s., Prague, Czech Republic
V. Sládková, E. Skořepová, Institute of Chemical Technology Prague, Prague, Czech Republic

P8

MHC-trans – Multi-Sample Humidity Chamber: Non-Ambient XRD for the Investigation of Temperature-Humidity Induced Structural Changes in Pharmaceuticals
Barbara Puhr*, A. Pein
, Anton Paar GmbH, Graz, Austria

P16

Optimizing PDF Data Quality using a Laboratory Powder Diffractometer
Thomas Hartmann*
, Stoe & Cie GmbH, Darmstadt, Germany

P26

WITHDRAWN - Piracetam/Poly (e-caprolactone) Blends to the Formulation of Functional Scaffolds for Neuronal Growth in 3D: Nano and Crystalline Structure
Bonifacio Alvarado-Tenorio*, A. Martinez-Martinez, A. Diaz-Sanchez, R. Gonzalez-Fernandez, J. Valero-Galván, Universidad Autónoma de Ciudad Juárez, Chihuahua, Mexico

P27

WITHDRAWN -Quantification of Flupirtine Maleate Polymorphs using X-ray Powder Diffraction Technique
Yumei Zhao*, Z. Zheng, S. Li,
Beijing Institute of Pharmacology and Toxicology, Beijing, China

P30

ICDD POWDER DIFFRACTION FILE COVERAGE OF POLYMERS USED IN PHARMACEUTICAL AND BIOMEDICAL APPLICATIONS
T. Blanton, S. Gates, ICDD, Newtown Square, PA, USA

P31

Incorporation of Pharmaceutical API'S into the PDF® Databases
A. Gindhart, K. Zhong, ICDD, Newtown Square, PA, USA

P32  

PDF-4/Organics: Powder Diffraction File™
A. Gindhart, T. Blanton*
, ICDD, Newtown Square, PA, USA

P33 

Accurate Material Identification Using SIeve+
T. G. Fawcett*, S. N. Kabekkodu, K. Zhong, J. R. Blanton and T.N. Blanton
, ICDD, Newtown Square, PA, USA

 

SESSION

Wednesday (MORNING) *indicates presenter

 

PXRD Techniques/Crystal Structure Prediction/Crystal Structure Verification
Chair: Kenneth Shankland
, Reading University, Reading, U.K., k.shankland@reading.ac.uk

8:55

Session Chair Opening Remarks

9:00

Invited – P14
Verification of Crystal Structures Determined from PXRD— the Role of DFT-D

Jacco van de Streek*
, University of Copenhagen, Copenhagen, Denmark

9:45

(P18) Molecular Complexes of Agomelatine-Phosphoric Acid: Crystal Structure Determination and Phase Transformation Kinetics by Non-Ambient Powder XRD
R.S. Voguri, R.R. Chirla, Archan Dey*
, Dr. Reddy's Laboratories Limited, Hyderabad, India

10:15

Break

10:45

(P10) Crystal Structure Prediction as a Tool
Marcus Neumann*
, Avant-garde Materials Simulation, Freiburg, Germany

11:15

(P4) Structural Characterization and Rationalization of Formation, Stability, and Transformations
of Benperidol Solvates

Agris Bērziņš*
, University of Latvia, Riga, Latvia and Durham University, Durham, UK
E. Skarbulis, A. Actinš, University of Latvia, Riga, Latvia

11:45

(P34) Expanding the Scope of PDF4/Organics in Pharmaceutical PXRD Analysis
S. Kabekkodu* T.G. Fawcett, , K. Zhong, A.M. Gindhart, S. Gates, J.R. Blanton, T.N. Blanton,
ICDD, Newtown Square, PA, USA

12:15

Lunch

 

SESSION

Wednesday (AFTERNOON) *indicates presenter

 

New Frontiers in X-ray Diffraction for Pharmaceutical Research and Development
Chair: Detlef Beckers
, PANalytical, Almelo, The Netherlands, detlef.beckers@panalytical.com

13:55

Session Chair Opening Remarks

14:00

Invited – P2
The Power of Powder: Protein-based Drug Screening

Irene Margiolaki*
, University of Patras, Patras, Greece

14:45

(P11) Characterization and Structural Assessment of Pharmaceutical Solids by Total Scattering
Shuang Chen*
, AbbVie, Inc., Chicago, IL, USA

15:15

Break

15:45

(P21) Study of Biological Macromolecules with a Labortory X-ray Diffraction System
Detlef Beckers*, T. Degen, G. Nénert, J. Bolze
, PANalytical B.V., Almelo, The Netherlands
S. Saslis, S. Logotheti, I. Margiolaki, University of Patras, Patras, Greece
V. Kogan, Dannalab, Enschede, The Netherlands

16:15

(P13) Ultrafast Crystal Structure Determination of Pharmaceutical Compounds using TEM Electron Diffraction without Cooling Techniques
Partha Pratim Das*
, NanoMEGAS SPRL, Brussels, Belgium & Electron Crystallography Solutions, Madrid, Spain
E. Van Genderen, J.P. Abrahams, University of Leiden, Leiden, Netherlands
S. Nicolopoulos, NanoMEGAS SPRL, Brussels, Belgium

16:45

(P25) Instrumentation for Tackling Current and Future Challenges in Pharmaceutical R&D
Dubravka Šišak Jung*
, DECTRIS Ltd, Baden, Switzerland
T. Hartmann, Stoe & Cie GmbH, Darmstadt, Germany

17:15

End of Session

 

SESSION

Thursday (MORNING) *indicates presenter

 

Complementary Techniques/Formulation & Product Development
Chairs: Julien Giovannini
, AstraZeneca R&D, Sweden, julien.giovannini@astrazeneca.com
Shawn Yin, Bristol-Myers Squibb Company, New Brunswick, NJ, USA, shawn.yin@bms.com

8:55

Session Chair Opening Remarks

9:00

Invited – P23
Small Angle X-ray and Neutron Scattering (SAXS, SANS) Applied to the Investigation of Self-Assembled Systems

Michael Gradzielski*
, Technische Universität Berlin, Berlin, Germany

9:45

Break

10:15

(P5) The Use of the Atomic Pair-Wise Distribution Function (PDF) for Assessing the Stability and Comparability of an Amorphous Drug Pr epared by Different Spray Drying Processes: A Comparison Between Conventional X-ray Diffraction Versus High Energy Synchrotron Radiation
Hector Novoa de Armas*, M. Brewster
, Johnson & Johnson Pharmaceutical Research & Development, a division of Janssen Pharmaceutical NV, Beerse, Belgium
D. Beckers, M. Gateshki, PANalytical B.V, Almelo, The Netherlands
C. Benmore, Argonne National Laboratory, Argonne, IL, USA
S. Byrn, Perdue University, West Lafayette, IN, USA

10:45

(P9) Characterization of Pharmaceutical Tablet Samples by Using Various Analysis Techniques
Atsushi Ohbuchi*, C. Saito, T. Konya, A. Yamano
, Rigaku Corporation, Tokyo, Japan

11:15

Round Table Discussion & Closing Remarks

NOON

End of Symposium