Process Simulation and Data Modeling in Solid Oral Drug Development and Manufacture

398 Pages·2016·10.794 MB·English

by  Marianthi G. Ierapetritou, Rohit Ramachandran (eds.)

Methods in Pharmacology
and Toxicology
Marianthi G. Ierapetritou
Rohit Ramachandran Editors
Process Simulation
and Data Modeling
in Solid Oral Drug
Development
and Manufacture
M P
ETHODS IN H A R M A C O L O G Y
T
A N D OXICO LOGY
SeriesEditor
Y. James Kang
University ofLouisville
School ofMedicine
Prospect, Kentucky,USA
For further volumes:
http://www.springer.com/series/7653

Process Simulation and Data
Modeling in Solid Oral Drug
Development and Manufacture
Edited by
Marianthi G. Ierapetritou
and Rohit Ramachandran
Rutgers University, Piscataway, NJ, USA
Editors
MarianthiG.Ierapetritou RohitRamachandran
RutgersUniversity RutgersUniversity
Piscataway,NJ,USA Piscataway,NJ,USA
ISSN1557-2153 ISSN1940-6053 (electronic)
MethodsinPharmacologyandToxicology
ISBN978-1-4939-2995-5 ISBN978-1-4939-2996-2 (eBook)
DOI10.1007/978-1-4939-2996-2
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Preface
The need for a more structured approach to process and product development has been
recentlyidentifiedinthepharmaceuticalindustryinordertoconsistentlyguaranteequality
and value to processes and products. This need has been formally identified by the
pharmaceutical industry as the Quality by Design (QbD) initiative and has been in the
center of attention over the last few years. To enable the implementation of this concept,
thereisaneedforquantitativecharacterizationofprocessandproductperformance.
Thegoalofthishandbookistoprovidepharmaceuticalengineerswithanintroduction
tothecurrentstateoftheartinmodelingandsimulationofpharmaceuticalprocessesand
to summarize a number of practical applications of such methodologies in drug product
development. Chapters include reviews of the simulation and modeling methodologies,
data collection and analysis, development of novel sensing techniques, development and
integration of individual unit models, optimization approaches for data-based models,
design space evaluation techniques, informatics-based methodologies, and emerging
topicsinpharmaceuticalprocessdevelopment.
The first chapter focuses on examples of more mechanistic models developed in
pharmaceuticalmanufacturingandspecificallyaddressesthemodelingoffluidbedgranu-
lation,tabletcoating,andspraydrying.Theimportanceoftheintegrationofsuchmodels
inexistingmanufacturingworkstreamsishighlighted.Chapter2providesadetailedreview
of Population Balance Models (PBM) as one of the most promising alternatives to
represent particulate systems. The distributed nature of the PBM makes it an appropriate
modelingframeworkforpharmaceuticalpowder-baseddrugmanufacturing.
Materialpropertiesandhowtheyaffectproductandprocessperformancearediscussed
in Chap. 3. In particular, specific properties of raw materials and the techniques used to
measurethemaredescribed,andthestateoftheartofapplyingthisinformationtodefine
productformulationisalsopresented.
Chapter 4 reviews one of the most commonlyused mechanistic approaches to model
particularsystems,whichisDiscreteElementMethod(DEM).Themainadvantageofthis
approachisthatitcancapturemechanistic,particle-scaleinformationsuchasvelocityand
collisionprofiles.
In pharmaceutical manufacturing, it is important to establish the right procedures to
guaranteetheconsistencyinprocessperformance.Chapter5reviewstheproceduresused
forthedevelopmentofnearinfrared(NIR)spectroscopicmethodsanddescribesexamples
ofthemostrecentlydevelopedapproachesbasedonpartialleastsquares(PLS)calibration
methodsthatminimizethenumberofsamplesused.Followingtheideasonlatent-variable
modeling techniques, Chap. 6 presents how those approaches can be used to support
pharmaceuticaldevelopmentandmanufacturingactivities.
Chapter7isdedicatedtocontrolstrategiesrequiredtosupporttheswitchfrombatch
to continuous models of operations for the production of pharmaceutical products. A
general methodology required to design and implement a control system is presented
together withtherequiredsoftwareandhardwareofthecontrolplatform.Chapters8and
9focusontheimportanceofmathematicalmodelingforprocesssimulation,optimization,
andthedevelopmentofthedesignspaceforpharmaceuticalprocessoperations.Inpartic-
ular, Chap. 8 reviews the approaches that are used to define process feasibility and how
v
vi Preface
those are applied for pharmaceutical manufacturing. Chapter 9 provides a review of the
optimization methodologies that have been applied to achieve better performance in
pharmaceutical manufacturing. Finally, Chapter 10 provides a very detailed step-by-step
descriptionofthemanufacturingstagesinvolvedintheproductionofsoliddosageforms.
Process analytical technology (PAT) devoted to the continuous manufacturing of solid-
baseddrugsisalsodescribed.
It is hoped that the collection of these papers will promote research into the process
systemsmethodologiesandtheirapplicationinpharmaceuticalproductandprocessdevel-
opment,whichwillundoubtedlybecomeanincreasinglyimportantareainthefuture.
Piscataway,NJ,USA MarianthiG.Ierapetritou
RohitRamachandran
Contents
Preface.................................................................... v
Contributors............................................................... ix
1 ApplicationsofModelinginOralSolidDosageFormDevelopment
andManufacturing .................................................... 1
OlavLyngberg,LieveBijnens,JeroenGeens,AlexMarchut,
SteveMehrman,andElisabethSchafer
2 PopulationBalanceModelsforPharmaceuticalProcesses................... 43
AnweshaChaudhury,MaitrayeSen,DanaBarrasso,
andRohitRamachandran
3 AQuantitativeApproachtoUnderstandRawMaterialVariability ........... 85
SaraKoynovandFernandoJ.Muzzio
4 DiscreteElementModelingofSolidDosageManufacturingProcesses....... 105
DanaBarrassoandRohitRamachandran
5 AProcedureforDevelopingQuantitativeNearInfrared(NIR)
MethodsforPharmaceuticalProducts ................................... 133
RodolfoJ.Roman˜ach,Andre´sD.Roma´n-Ospino,andManelAlcala`
6 AdvancedProcessDecisionMakingUsingMultivariateLatent
VariableMethods...................................................... 159
MatteoOttavian,EmanueleTomba,andMassimilianoBarolo
7 AdvancedControlofContinuousPharmaceuticalTablet
ManufacturingProcesses ............................................... 191
RavendraSingh,CarlosVelazquez,AbhishekSahay,
KriziaM.Karry,FernandoJ.Muzzio,MarianthiG.Ierapetritou,
andRohitRamachandran
8 MathematicalToolsfor theQuantitativeDefinitionofaDesignSpace....... 225
AmandaRogersandMarianthiG.Ierapetritou
9 OptimizationMethodologiesfor theProductionofPharmaceutical
Products ............................................................. 281
M.SebastianEscotet-Espinoza,AmandaRogers,
andMarianthiG.Ierapetritou
10 AnOverviewofPharmaceuticalManufacturingforSolidDosageForms ..... 311
StephanSacherandJohannesG.Khinast
Index..................................................................... 385
vii

Contributors
MANELALCALA` (cid:1) GrupdeQuimiometrı´aAplicada,DepartamentdeQuı´mica,Unitatde
Quı´micaAnalı´tica,UniversitatAuto`nomadeBarcelona,Bellaterra,Barcelona,Spain
MASSIMILIANO BAROLO (cid:1) Computer-AidedProcessEngineeringLaboratory(CAPE-Lab),
DepartmentofIndustrialEngineering,UniversityofPadova,Padova,PD,Italy
DANABARRASSO (cid:1) DepartmentofChemicalandBiochemicalEngineering,Rutgers,The
StateUniversityofNewJersey,Piscataway,NJ,USA
LIEVEBIJNENS (cid:1) PharmaceuticalDevelopmentandManufacturingSciences,Janssen
Pharmaceuticals,Beerse,Belgium
ANWESHACHAUDHURY (cid:1) DepartmentofChemicalandBiochemicalEngineering,Rutgers,
TheStateUniversityofNewJersey,Piscataway,NJ,USA
M.SEBASTIANESCOTET-ESPINOZA (cid:1) DepartmentofChemicalandBiochemicalEngineering,
Rutgers,TheStateUniversityofNewJersey,Piscataway,NJ,USA
JEROENGEENS (cid:1) PharmaceuticalDevelopmentandManufacturingSciences,Janssen
Pharmaceuticals,Beerse,Belgium
MARIANTHIG.IERAPETRITOU (cid:1) DepartmentofChemicalandBiochemicalEngineering,
EngineeringResearchCenter forStructuredOrganicParticulateSystems(ERC-SOPS),
Rutgers,TheStateUniversityofNewJersey,Piscataway,NJ,USA
KRIZIAM.KARRY (cid:1) DepartmentofChemicalandBiochemicalEngineering,Engineering
ResearchCenter forStructuredOrganicParticulateSystems(ERC-SOPS),Rutgers,The
StateUniversityofNewJersey,Piscataway,NJ,USA
JOHANNESG.KHINAST (cid:1) ResearchCenter forPharmaceuticalEngineering(RCPE),Graz,
Austria;InstituteforProcessandParticleEngineering,GrazUniversityofTechnology,
Graz,Austria
SARAKOYNOV (cid:1) DepartmentofChemicalandBiochemicalEngineering,Engineering
ResearchCenter forStructuredOrganicParticulateSystems(ERC-SOPS),Rutgers,The
StateUniversityofNewJersey,Piscataway,NJ,USA
OLAVLYNGBERG (cid:1) JanssenSupplyChain,TechnicalOperations,JanssenPharmaceuticals,
Raritan,NJ,USA
ALEXMARCHUT (cid:1) JanssenSupplyChain,TechnicalOperations,JanssenPharmaceuticals,
Raritan,NJ,USA
STEVE MEHRMAN (cid:1) PharmaceuticalDevelopmentandManufacturingSciences,Janssen
Pharmaceuticals,Beerse,Belgium
FERNANDOJ.MUZZIO (cid:1) DepartmentofChemicalandBiochemicalEngineering,
EngineeringResearchCenter forStructuredOrganicParticulateSystems(ERC-SOPS),
Rutgers,TheStateUniversityofNewJersey,Piscataway,NJ,USA
MATTEOOTTAVIAN (cid:1) ManufacturingScience&Technology,SandozIndustrialProducts
S.p.A.,Rovereto,TN,Italy
ROHITRAMACHANDRAN (cid:1) DepartmentofChemicalandBiochemicalEngineering,
EngineeringResearchCenter forStructuredOrganicParticulateSystems(ERC-SOPS),
Rutgers,TheStateUniversityofNewJersey,Piscataway,NJ,USA
AMANDAROGERS (cid:1) DepartmentofChemicalandBiochemicalEngineering,Rutgers,The
StateUniversityofNewJersey,Piscataway,NJ,USA
ix