PPXRD-15 Program
18-20 August 2017, Hyderabad, India


Just released - the PPXRD-15 Program!


FRIDAY WORKSHOP
18 August - 08.30-17.30
Hyderabad International Convention Centre - Meeting Rooms G01 & 02

Powder XRD Applications for Pharmaceutical Product Development
Organizers & Instructors:
R. Suryanarayanan, University of Minnesota, USA, surya001@umn.edu
T. Blanton, International Centre for Diffraction Data, USA, tblanton@icdd.com
G. Diaz de Delgado, University de Los Andes, Venezuela, diaz@ula.ve
D. Beckers, PANalytical B.V., The Netherlands, detlef.beckers@panalytical.com

In the context of preformulation studies, X-ray powder diffraction (XRD) has been extensively used to identify different physical forms of drugs and excipients. The application of XRD for pharmaceutical characterization will be described with several representative examples, followed by the use of XRD to identify and characterize multiple crystalline phases in a complex matrix. In drug products, XRD can be used to simultaneously characterize crystalline drugs and excipients and the application of this technique in different dosage forms including tablets and lyophilized solids will be demonstrated. During pharmaceutical processing, there is the potential for processing-induced phase transformations which can have profound implications on the final product performance. As representative examples, phase transitions during the manufacture of tablets and freeze-dried products will be discussed. Recent advances in instrumentation and software have enabled quantitative phase analyses in complex, multicomponent systems with enhanced limits of detection and quantification. Moreover, selective subtraction of the contribution of formulation components (for example, high concentration of excipients) can enhance analyte sensitivity and examples will be provided. The course participants will get a 30 day license of the ICDD PDF-4+ database and associated software for use during the workshop and later evaluation. There will be a demonstration of data mining, phase identification and other relevant searches of interest to the pharmaceutical community.


Schedule

08.30 Opening remarks from Professor G.R. Desiraju, Indian Institute of Science, India. Exhibitor Introductions by the Conference Chairman, T. Blanton, International Centre for Diffraction Data, USA.
09.00 Fundamentals and Overview of XRD
D. Beckers, PANalytical B.V., The Netherlands
10.30 Break
11.00 XRD Tools and Capabilities / Characterization of Pharmaceutical Formulations
R. Suryanarayanan, University of Minnesota, USA
12.30 Lunch
14.00 Data Mining & Phase Identification
T. Blanton, International Centre for Diffraction Data, USA
15.30
Break
16.00 New Frontiers and Novel Approaches / Combining Structure – Powder XRD
G. Diaz de Delgado, University de Los Andes, Venezuela
17.30 End


SATURDAY SESSIONS
19 August - 09.00-19.00
Hyderabad International Convention Centre - Meeting Rooms G01 & 02

*Signifies the speaker

09.00   Opening remarks from PPXRD-15 Local Organizing Committee Member, T.N. Guru Row, Indian Institute of Science, India Welcoming remarks from PPXRD-15 Organizing Committee Chairman, T. Blanton, International Centre for Diffraction Data, USA
 
Qualitative Phase Analysis with XRPD
Co-chairs: D. Beckers, PANalytical B.V., The Netherlands, detlef.beckers@panalytical.com
F. Gozzo, Excelsus Structural Solutions sprl, Belgium, fabia.gozzo@excels.us
09.15 P39 Invited: Structure and Analysis of Amorphous Dispersions
S. Byrn*, C. Benmore, G. deAraujo, Y. Song, H. Nie, Purdue University and Argonne National Laboratory, USA
09.45 P32 Phase Identification and Microstructure Characterization of Pharmaceutical Formulations Using Excipient Reference Data in the Powder Diffraction File (PDF®)
T. Blanton*, S. Gates-Rector, T. Fawcett, International Centre for Diffraction Data, USA
10.05 P38 Application of the Powder Diffraction File™ in Pharmaceutical Analysis
S. Kabekkodu*, J. Blanton, T. Fawcett, T. Blanton, International Centre for Diffraction Data, USA
10.25 Break  
 
Quantitative Phase Analysis: Single Peak, Whole-Pattern Methods and Beyond
Co-chairs: F. Gozzo, Excelsus Structural Solutions sprl, Belgium, fabia.gozzo@excels.us
D. Beckers, PANalytical B.V., The Netherlands, detlef.beckers@panalytical.com
11.00 P42 Invited: Quantitative Applications of X-ray Powder Diffractometry
R. Suryanarayanan*, University of Minnesota, Minneapolis, MN, USA
11.30 P18 The Appropriate Internal Standard for Pharmaceuticals: The Art of Dealing with Compromises
M.L. Reinle-Schmitt*, R. Frison, Excelsus Structural Solutions (Swiss) AG, Switzerland
P.P. Mazzeo, Excelsus Structural Solutions (Swiss) AG, Switzerland and University of Parma, Italy
F. Gozzo, Excelsus Structural Solutions (Swiss) AG, Switzerland and Excelsus Structural Solutions sprl, Belgium
11.50 P21 Quantification of Multiple Amorphous and Crystalline Phases
A. Adibhatla*, PANalytical, Inc., USA
D. Beckers, T. Degen, PANalytical B.V., The Netherlands
12.10 P29 Importance of Solid State Characteristics of Impurities in Phase Analysis of Active Pharmaceutical Ingredients
R. Narsimhamurthy*, M. Sundaram, P. Chodon, P. Kameshwar, A. Dikundwar, S. Pal,H. Bhutani, Biocon Bristol-Myers Squibb Research & Development Center, Syngene International Limited, India
12.30 Lunch  
 
Formulation and Product Development
Chair: T.N. Guru Row, Indian Institute of Science, India
14.00   Invited: Solid Form Screening and Selection: Challenges in Generic Pharmaceutical Development
V. Peddy*, Dr. Reddy’s Laboratories Ltd., India
14.30 P31 Use of SXRD to Study Spatial Heterogeneity in Phase Composition in Co-Lyophilized Binary Systems
S. Thakral*, S. Koranne, R. Suryanarayanan, University of Minnesota, USA
 
Polymorph, Salt and Co-crystal Screening
Chair: G. Diaz de Delgado, University de Los Andes, Venezuela, diaz@ula.ve
14.50 P40 Invited: XRD in the Screening and Characterization of Pharmaceutical Co-crystals
A.K. Nangia*, University of Hyderabad and CSIR-National Chemical Laboratory, India
15.20 P44 Invited: Why Polymorphism? An Evaluation using Experimental Charge Densities Analysis
T.N. Guru Row*, Indian Institute of Science, India
15.50 Break  
 
Non-Ambient Powder X-ray Diffraction
Chair: T. Blanton, International Centre for Diffraction Data, USA
16.20 P46 Invited: Non-Ambient Applications of X-ray Diffractometry for the Characterization of Pharmaceutical Systems
R. Suryanarayanan*, University of Minnesota, USA



SATURDAY EVENING POSTER SESSION AND RECEPTION
19 August - 17.00-19.00
Hyderabad International Convention Centre - Meeting Rooms G01 & 02

 

 

P12 Nanocrystal Formation of Docetaxel via an Amorphous Precursor
I. Choi, J. Ham, J.H. Jeong, I.W. Kim*, Soongsil University, South Korea
K.S. Kim, BioSynectics, South Korea

 

P15 High-throughput Screening with a Well Plate Changer
M. Evans, C. Drathen*, A. Kern, M. Zimmermann, Bruker AXS GmbH, Germany

 

P16 STOE STADI P and the Multi-MYTHEN – The Solution if One Dectris MYTHEN 1K is Not Fast Enough
T. Hartmann*, Stoe & Cie GmbH, Germany

 

P20 WITHDRAWN X-ray Diffraction Study on Ultrasonically Levitated Droplets
Y.I. Kim*, K.B. Kim, Y.H. Lee, KRISS, South Korea
K.M. Nam, Mokpo National University, South Korea

 

P22 Atomic Pair Distribution Function (PDF) and X-ray Scattering Methods to Assess Amorphous Organic Compounds
D. Beckers*, M. Gateshki, PANalytical B.V., The Netherlands
A. Adibhatla, PANalytical, Inc., USA

 

P24 Structural Characterization of Flunixin, a Non-steroidal Anti-inflammatory Drug of Veterinary Use by Powder X-ray Diffraction
M.C. Dávila, A.J. Dugarte, J.E. Contreras, J.M. Delgado, G. Díaz de Delgado*,
Universidad de Los Andes, Venezuela

 

P25 Detailed Investigation of Crystalline Phases of Pharmaceutical Drugs Found by XRD-DSC by Employing a Thermal Analysis System having a Sample Observation Camera and Raman Spectroscopy
Y. Shiramata*, A. Miyayama, A. Yamano, Rigaku Corporation, Japan

 

P28 Synthesis and Characterization by Single Crystal X-ray Diffraction of a New Copper Derivative of Ciprofloxacin
M.A. Ramírez, J.M. Delgado, G. Díaz de Delgado*, Universidad de Los Andes, Venezuela
H.A. Camargo, J.A. Henao, Universidad Industrial de Santander, Colombia

 

P33 Powder Diffraction File™ Coverage of Polymers used in Pharmaceutical and Biomedical Applications
T. Blanton*, S. Gates-Rector, T. Fawcett, International Centre for Diffraction Data, USA
S. Misture, Alfred University, USA

 

P34 Crystal Structures of Large-Volume Commercial Pharmaceuticals
J.A. Kaduk*, Illinois Institute of Technology and North Central College, USA
A.M. Gindhart, T. Blanton, International Centre for Diffraction Data, USA

 

P43 Rapid Screening and Manufacturing of Co-crystals via Thermal Ink Jet Printing for Pharmaceutical Applications
S. Raviteja*, T.N. Guru Row, Indian Institute of Science, India
  P47 Co-Crystals of Active Ingredients: Solid State Properties for New Drug Products
M. Viertelhaus*, BASF SE, Germany
A. Hafner, BASF Schweiz AG, Switzerland   
  P48 Co-Crystals of Agrochemicals: New Properties for New Formulations
M. Viertelhaus*, BASF SE, Germany
  P50   Precipitation and Stabilization of Ultrafine Particles of Fenofibrate in Aqueous Suspensions
K. Pandey,S. Dalvi, Indian Institute of Technology, India
Post Deadline Poster:
  P51 Isomeric Dicarboxylic Acids Separation by Dynamic and Size-Matched Recognition in Solution and in the Solid State
V. Kumar*, T. Pilati, G. Terraneo, P. Metrangolo, G. Resnati, Politecnico di Milano
G. Ciancaleoni, A. Macchioni, Dipartimento di Chimica, Università degli Studi di Perugia, Perugia, Italy

 

SUNDAY SESSIONS
20 August - 09.00-16.10
Hyderabad International Convention Centre - Meeting Rooms G01 & 02

*Signifies the speaker

Amorphous, Mesomorphous and Nano Materials
Chair: A. Kern, Bruker AXS GmbH, Germany, arnt.kern@bruker.com
09.00 P13 Invited: X-ray Total Scattering of Amorphous, Mesomorphous and Nanocrystalline Materials: The Pharmaceutical Challenge
R. Frison*, Excelsus Structural Solutions sprl, Belgium and University of Zurich, Switzerland
P. Mazzeo, University of Parma, Italy
M. Reinle-Schmitt, Excelsus Structural Solutions (Swiss) AG, Switzerland
A. Cervellino, Paul Scherrer Institut, Switzerland
A. Prodi, Excelsus Structural Solutions sprl, Belgium
09.30 P8 Invited: Does an Accurate Modelling of the Peak Shape Matter?
M. Leoni*, DICAM University of Trento, Italy
10.00 P14 Fast PDF Screening of Amorphous Pharmaceuticals
C. Drathen*, A. Kern, M. Evans, Bruker AXS GmbH, Germany
10.20 Break  
 
Crystal Structure Prediction, Elucidation and Verification from Powder Diffraction Data
Chair: J. Kaduk, Poly Crystallography, Inc. & Illinois Institute of Technology, USA, kaduk@polycrystallography.com
10.50 P19 Invited: Crystal Morphology Prediction of Structures Determined by X-ray Powder Diffraction
F.F. Ferreira*, Federal University of ABC (UFABC), Brazil
F. Punzo, Università degli Studi di Catania, Italy
11.20 P3 Lessons Learned from 25 Commercial Pharmaceutical Crystal Structure Prediction Studies
J. van de Streek*, M.A. Neumann, Avant-garde Materials Simulation, Germany
11.40 P6 Structure Determination and Rietveld Refinement Study of Coordination Polymers
M.A. Haque*, M.A. Haque, L.J. Paliwal, U.A. Palikundwar, Rashtrasant Tukadoji Maharaj Nagpur University, India
12.00 Lunch  
 
New Developments/Complementary Techniques
Chair: K. Saito, Rigaku Europe SE, Germany, keisuke.saito@rigaku.com
13.30 P9 Invited: A New Method for Quantitative Phase Analysis Using Observed Integrated Intensities and Chemical Composition Data of Individual Crystalline Phases
H. Toraya*, Rigaku Corporation, Japan
14.00 P11 Appropriate Restraint Settings for Crystal Structure Refinement
A. Sasaki*, H. Konaka, Rigaku Corporation, Japan
14.20 P23 Characterizing Biological Macromolecules using SAXS on a Multi-Purpose Laboratory X-ray Diffraction System
D. Beckers*, J. Bolze, B. Schierbeek, PANalytical, B.V., The Netherlands
A. Adibhatla, PANalytical, Inc., USA
14.40 Break  
15.10 P27 TEM 3D Precession Electron Diffraction Tomography to Solve Pharmaceutical API Structures
P.P. Das*, S. Nicolopoulos, NanoMEGAS sprl, Belgium
15.30 P30 Strengthening of Powder Pattern Information with Complementary Crystal Structure Determination Methods
C.W. Lehmann*, Max-Planck-Institut fuer Kohlenforschung, Germany
15.50   Summary and Closing Remarks
16.10   End of Symposium