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Welcome to Scale‑up Suite™

Scale-up Suite is the world’s leading suite of drug substance process development and scale-up software for scientists and engineers working in the pharmaceutical industry.

Dynochem®

Accelerating Process Development

Reaction Lab™

Kinetics Meets ELN

Numero Chem™

Office Just Got Smarter

Find out for yourself

Hear how our Customers are using the Software

Customer Recordings

New Reaction Lab ™ : On-line training 8
1 hour hands-on on-line training session for Reaction Lab users in the Pilot Program: Modeling a BOC deprotection reaction and its ionic equilibria
2019-Dec-02

New New Dynochem Tools: Drug Product Stability Toolbox
This 30-minute Energy Snack webinar will introduce a new Dynochem toolbox to fit kinetics to drug stability data from accelerated stability studies, then predict shelf life over a range of temperatures and relative humidities.
2019-Nov-26

New Guest: Thorsten Roeder & Verena Fath, Hochschule Mannheim: "In Situ Reaction Monitoring of Unstable Lithiated Intermediate: Complex Kinetic Modeling and Model-based Scale-up Predictions"
On the basis of kinetic studies that were performed in the lab, a model-based approach was applied to predict the scale-up from micro-reactor to milli-scale pilot plant for an n-buytllithium reaction.
2019-Nov-13

New New Dynochem Tools: Empirical regression modeling / metamodels / surrogate models
This 30-minute Energy Snack webinar will introduce a new tool to generate empirical regression models from results of mechanistic models or raw experimental data, using machine learning techniques.
2019-Nov-05

New Reaction Lab ™ : On-line training 7
1 hour hands-on on-line training session for Reaction Lab users in the Pilot Program: Modeling a nitrile reduction hydrogenation
2019-Nov-04

Guest: Lauren McCullough, Dow: "Using DynoChem to Advance Process Insight with Limited Data"
Lauren will discuss using DynoChem to squeeze process insight from limited plant and experimental data for performance and safety evaluations.
2019-Oct-23

Reaction Lab ™ : Energy Snack: Using Scenarios, Experimental Data and Data Chart
30 minute summary and demos of using Scenarios, Experimental Data and Data Chart panels. Tips and tricks to speed up work. For Reaction Lab users in the Pilot Program.
2019-Oct-15

New On-line Training: Develop API Drying operations using Dynochem
Learn about the background of the Schlunder approach and using the Schlunder utility in Dynochem
2019-Oct-10

On-line Training: Predict Solubility and Select Solvents using Dynochem
Hands-on training and learning on how to design experiments, regress lab solubility data, predict solubility and select solvents using Dynochem
2019-Sep-19

Perspective: Opportunities to accelerate Chemical Development as part of "Industry 4.0"
A set of digital technologies has begun to mature and converge, creating new ways of working that could deliver medicines to patients more quickly. Joe will explain how Dynochem and Reaction Lab models play a central role in these changes.
2019-Sep-17

Guest: Joe Harris, Johnson Matthey: "Crystallization Development in the Salt/Cocrystal Continuum – Use of PAT and DynoChem Modelling for Crystallization of a Metastable Form"
The presentation will focus on use of Dynochem simulation with PAT in crystallization process development
2019-Sep-11

Talking Chemistry: Writing elementary steps as a platform for mechanistic modelling; introduction to kinetics, with examples.
This webinar will present Wilfried's guidance on the generation of a reaction scheme proposal to describe real chemical systems, based on more than 30 years of experience in kinetic modelling of complex organic reactions.
2019-Aug-14

Reaction Lab ™ : On-line training 5
1 hour hands-on on-line training session for Reaction Lab users in the Pilot Program: Using HPLC area% or area.
2019-Aug-05

Guest: Flavien Susanne, GSK: "How Process Simulation can Influence the Process Development and Control Strategy of a Drug Substance Asset"
At GSK, supported by a new modelling strategy, we are now embedding mechanistic and first principal models to support the process development phase and the control strategy of drug substance continuous processes from laboratory to manufacture.
2019-Jul-22

On-line Training: Filtration Process Design using Dynochem
Hands-on training and learning on how to regress lab data and design a filter using Dynochem
2019-Jul-11

Guest: James Marek and Eric Moschetta, AbbVie: "Improving Process Development Workflows and Kinetic Understanding through PAT"
Please see (https://aiche.confex.com/aiche/2018/meetingapp.cgi/Paper/529180) and (https://aiche.confex.com/aiche/2018/meetingapp.cgi/Paper/529073)
2019-Jul-10

Reaction Lab ™ : On-line training 4
1 hour hands-on on-line training session for Reaction Lab users in the Pilot Program: Model ionic systems, pH and pKa.
2019-Jul-01

Talking Mixing: Reactive Mixing
Aaron Sarafinas will introduce best practice methodologies for scale-up of mixing sensitive reactions based on academic theory and real world applications
2019-Jun-19

Reaction Lab ™ : On-line training 3
1 hour hands-on on-line training session for Reaction Lab users in the Pilot Program: Model fed batch and heterogeneous / multi-phase systems.
2019-Jun-10

Talking Mixing: Multiphase Mixing
Aaron Sarafinas will introduce some important parameters for successful design and scale-up of mixing in stirred tank reactors with heterogeneous phases, e.g. solid-liquid or immiscible liquids
2019-May-29

On-line Training: Fit heat transfer using DynoChem
Hands-on training and learning about fitting heat transfer to measured data in stirred tanks using DynoChem.
2019-May-23

Reaction Lab ™ : On-line training 2
1 hour hands-on on-line training session for Reaction Lab users in the Pilot Program: Fit kinetics; Find optimum reaction conditions; Generate response surface/ design space.
2019-May-13

On-line Training: Predict heat transfer using DynoChem
Hands-on training and learning about predicting heat transfer in stirred tanks using DynoChem.
2019-May-02

Talking Mixing: Basics of Mixing
Aaron Sarafinas will introduce some basics of mixing in agitated reactors from lab scale to production, such as flow, shear and blending; drawing on international research and his own practical experiences in scale-up and optimization
2019-Apr-24

Dynochem 5: Running Dynochem from other programs
This 30-minute Energy Snack webinar will introduce new features for running Dynochem 5 from other programs, including performance improvements and expanded results available from the new automation calls.
2019-Apr-16

Dynochem 5: Continuous data sheets, stepped profiles, data plotting
This 30-minute Energy Snack webinar will introduce the data handling enhancements in Dynochem 5: how to combine multiple experiments on a single data sheet, easier ways to step and ramp imposed variables, and powerful new plotting features.
2019-Apr-09

Dynochem 5: Process Snippets; Analyze
This 30-minute Energy Snack webinar will introduce two new features to make model editing quicker and easier in Dynochem 5.
2019-Apr-02

Reaction Lab ™ : On-line training 1
1 hour hands-on on-line training session for Reaction Lab users in the Pilot Program: Build model from scratch, check model works, fit kinetics, gain mechanistic insight.
2019-Apr-01

Dynochem 5: Ionic components, [H]+, pKa and slaved reactions
This 30-minute Energy Snack webinar will introduce the new features using ions; built-in pH calculation when H[+] ions are present; using pKa as alias for Keq; and new ‘slaved reactions’, and 'fixed reactions'.
2019-Mar-26

Dynochem 5: Fitting Area, Area% and RRF
This 30-minute Energy Snack webinar will give an introduction to the new features for directly handing HPLC area and area percent data and defining the related relative response factors (RRFs) of components.
2019-Mar-19

Dynochem 5: Fitting, Fitting Reports & Model Verification
This 30-minute Energy Snack webinar will give an introduction to the enhancements in Fitting in Dynochem 5, including parallel processing, automated output of residuals, additional statistics, verification tools and documentation.
2019-Mar-12

Reaction Lab ™ : Demo and Prep for the Online Training Program
This 30-min webinar will provide: a preview of the forthcoming online (hands-on) training program, taking place monthly, April - Dec 2019 and a quick demo of how this new software works, from chemical structures to a completed model in minutes.
2019-Mar-11

Dynochem 5: Full Factorial, Response Surface & Sensitivity Analysis
This 30-minute Energy Snack webinar will give an introduction to how hundreds of in-silico experiments can be run and analyzed in Dynochem 5.
2019-Mar-05

Dynochem 5: Enhanced materials and properties - Utilities
This 30-minute Energy Snack webinar will give an introduction to how the enhanced materials and properties in Dynochem 5 have improved the most widely used utilities
2019-Feb-26

Dynochem 5: Enhanced materials and properties - Models
This 30-minute Energy Snack webinar will give an introduction to how the enhanced materials and properties available in Dynochem 5 have improved model building, and the Solvent Swap model
2019-Feb-19

Get Ready for Dynochem 5 and Scale-up Suite
This 30-minute webinar will skate quickly over the main features of Scale-up Suite, with an emphasis on Dynochem 5, including significant enhancements in ease of use, speed and accuracy for predictive modeling of unit operations.
2019-Feb-14

Americas: Reaction Lab ™ : FAQ and demo of new software from Scale-up Systems
Reaction kinetics meets ELN: This webinar will provide an overview of how this new tool works, moving from chemical structures to a completed model and valuable insights in minutes, requiring no skills in mathematics, modeling language or even MS Excel.
2019-Jan-17

Guest: Claire MacLeod, AstraZeneca: “Use of the Dynochem centrifuge model to scale-up from lab to plant”
Claire will discuss scale-up of centrifugation processes from laboratory filtration data using DynoChem modelling tools
2018-Nov-14

Guest: Barbara Wood, UCD Crystallization Group: "Utilizing DynoChem Modelling to Design the Continuous Crystallization of an Active Pharmaceutical Ingredient - Part II"
Barbara will build on her previous presentation with model development from further continuous crystallization experiments, including scale-up.
2018-Sep-12

Guest: Aaron Sarafinas, Sarafinas Process & Mixing Consulting: "Using the "Bourne Protocol" to test mixing sensitivities in the lab"
This webinar will discuss an example from Advances in Industrial Mixing where we applied the “Bourne Protocol” in a Mettler-Toledo RC-1e™ calorimeter and identified critical mixing sensitivities in a reactive crystallization.
2018-Aug-08

Guest: Tom Corrie, Syngenta: “Accelerating Active Ingredient Development with Early Stage DynoChem Simulations”
This talk will cover the implementation of DynoChem in agrochemical process development as a resource for knowledge generation and project direction in time-restricted projects, where extensive experimentation is not possible.
2018-Jul-11

DynoChem Energy Snack 2018-4: Review and learn how to use Process Schemes to develop and share understanding of your modeling project and find the best DynoChem tools for it
Build a Process Scheme in minutes to get your modeling project off to a good start
2018-May-30

Guest: Li-Jen Ping Johnson Matthey Pharma Services: "Minimize the Heat Accumulation at Production Scale by Modeling Qr of Exothermic Reaction "
Reaction model built with data from calorimetry experiments enables prediction of optimal peroxide feed rate on scale-up of exothermic reaction to control heat accumulation within the production reactor capabilities.
2018-Apr-11

DynoChem Energy Snack 2018-3: Late phase crystallization DOE in-silico, in minutes, using DynoChem Crystallization Toolbox
Run 81 virtual experiments in 5 minutes, saving >30 days compared to a lab DOE.
2018-Mar-20

DynoChem Energy Snack 2018-2: New DynoChem template for solvent swap in partially-miscible liquid-liquid systems
New DynoChem template for solvent swap in partially-miscible liquid-liquid systems
2018-Feb-27

Guest: Orel Mizrahi, Teva & Ariel University: "Control of Crystallization PSD using DynoChem Simulation"
Development and validation case study of a predictive QMOM model for the final crystallization step of Rasagiline mesylate.
2018-Feb-21

Guest: Andrew Cosbie, Amgen and Matt Jorgensen, NALAS Engineering: "Dynamic Modeling of Intermediate and API Drying Operations"
The characterization of drying kinetics for an API and isolated intermediates through the use of the Schlunder model is discussed. Work flow and experimental methods are shared and comparison of model simulations to actual plant performance is reviewed.
2018-Feb-14

DynoChem Energy Snack 2018-1: Predict, visualize, control PSD shape using DynoChem Crystallization Toolbox
Predict, visualize, control PSD shape using DynoChem Crystallization Toolbox
2018-Feb-06

DynoChem Energy Snack 2017-6: Discriminate between proposed reaction models in DynoChem
Discriminate between proposed reaction models in DynoChem
2017-Dec-12

DynoChem Energy Snack 2017-5: Get reaction kinetics from HPLC data, including checking your mole balance
Get reaction kinetics from HPLC data, including checking your mole balance
2017-Nov-28

DynoChem Energy Snack 2017-4: Get reaction kinetics from RC1 data, including smart filtering of data from experiments
Get reaction kinetics from RC1 data, including smart filtering of data from experiments
2017-Nov-21

DynoChem Energy Snack 2017-3: Generate a Design Space in DynoChem utilities and models
Generate a Design Space in DynoChem utilities and models
2017-Nov-07

DynoChem Energy Snack 2017-2: Quick-and-easy process fit calculations using your vessel database in DynoChem utilities
Quick-and-easy process fit calculations using your vessel database in DynoChem utilities
2017-Oct-24

Guest: Laszlo Tamas, TEVA "Using DynoChem to support the development of Biotechnology-based semi-synthetic API Production"
Dr Laszlo Tamas will talk about the role of process modelling using DynoChem in his work and will illustrate this with examples from API process development and scale-up
2017-Oct-18

DynoChem Energy Snack 2017-1: What's New in DynoChem Resources year to date 2017
What's New in DynoChem Resources year to date 2017
2017-Oct-10

Guest: Lotfi Derdour, GSK: "Use of Dynochem to estimate kinetics parameters for reactive salting out crystallizations"
Lotfi will discuss a case study of using DynoChem in crystallization modeling
2017-Aug-09

Guest: Anuj Verma, Abbvie "Using Dynochem Mixing utilities to ensure safe scale-up of a highly exothermic mixing limited reaction"
Anuj will talk about a scale-up case study using DynoChem mixing utilities
2017-Jul-12

Guest: Bruno De Kort, Monsanto "Evaluating runaway reaction scenarios during scale up to large scale using DynoChem"
Bruno will talk about use of DynoChem to evaluate runaway reaction scenarios on scale-up.
2017-Jun-14

Guest: Barbara Wood, University of Limerick "Utilizing Dynochem Modelling to Design the Continuous Crystallization of an Active Pharmaceutical Ingredient"
Dr Barbara Wood will talk about using DynoChem for API Continuous Crystallization processes; MSMPR, CSTRs and CSTRs in series.
2017-May-10

Guest: Mark Barrett, APC & Joe Hannon: "Report out on SSPC CM2017 Workshop"
Mark and Joe summarize technical presentations, round table discussions and actions from the recent API Continuous Manufacturing workshop attended by over 60 organizations in pharma, academia, suppliers and regulators. PFR, CSTR.
2017-Apr-25

Guest: Roel Hoefnagels, Janssen "Development of Modeling Enhanced Work Streams to Optimize the Scale-up of Solvent Switches"
Dr Roel Hoefnagels will talk about the overarching work streams are giving detailed guidance on all aspects of a solvent switch, to enable its process development at all scales.
2017-Mar-15

Guest: Sandra Lenihan, CIT "Incorporating DynoChem Process Simulation Software into a Chemical Engineering Programme"
Dr Sandra Lenihan will talk about how DynoChem has been used to support experimental labs, teaching and final year design projects at Cork Institute of Technology
2016-Nov-30

Guest: Andrew Derrick, Pfizer "Characterization of Mixing in Reactors", Part 2
Andrew will present experimental data and DynoChem model predictions to characterize mixing in lab and plant reactors. Easymax, RC1, Pilot. Bourne reactions.
2016-Oct-26

Guest: Nir Haimovich, TEVA "DynoChem in TEVA API: training colleagues for optimized use & implementation"
Nir will talk about how DynoChem has been rolled out as a primary process simulation tool across a multi-national API organisation via an "in-house" developed and applied training methodology. A few related examples will be included.
2016-Aug-10

New Utility for Continuous Manufacturing / Flow Chemistry
Joe Hannon introduces and demos the application of a newly released Scale-up Systems utility for simulation of integrated continuous manufacturing / flow chemistry systems and especially the RTD and response of the flowsheet to disturbances.
2016-Jun-29

Guest: Andrew Derrick, Pfizer & Joe Hannon: Characterization of Mixing in Reactors, Part 1
Andrew and Joe present experimental data and DynoChem model predictions to characterize mixing in lab and plant reactors. Easymax, RC1, Pilot. Bourne reactions.
2016-Jun-22

Guest: Marimuthu Andiappan, Lilly: Use of DynoChem Modeling for Process Design: Mitigating the Risk of Coprecipitation
How Lilly used process modeling to develop an effective control strategy to mitigate the unexpected precipitation of pinacol while telescoping a class of reactions.
2016-Jun-08

Guest: Paul Collins, Lilly & Joe Hannon: FDA-AIChE Workshop on Continuous Manufacturing
During this webinar, Paul (located in Indianapolis) and Joe (in Dublin) summarize the excellent technical content of the workshop presentations, the focus group discussions and the plan for next actions. There is also time for Q&A. PFR, CSTR.
2016-Mar-23

Guest: Daniel Caspi, AbbVie: Development and Scale-up of Acrylamide Formation Using an Impinging Jet
Reaction kinetics and response surface simulations were used to reduce the chloro impurity to acceptable levels in a fit-for-purpose flow chemistry solution.
2016-Feb-10

Cooling and Antisolvent Crystallization: New DynoChem Toolbox with simplified user interface and workflow
Preview of a new DynoChem crystallization toolbox, incorporating solubility, seed design, growth kinetics and PSD prediction in a single tool.
2016-Jan-12

Solvent swap distillation: Why and how to model a distillation using DynoChem
Review and demos of applying DynoChem for solvent swap distillation, including customer cases, predicting phase behavior, choosing an operating pressure, modeling put and take and constant volume operation, available self-paced training materials
2015-Dec-16

Guest: Samrat Mukherjee, AbbVie: Model-Based Process Control in API Manufacturing: A QbD-Vantage!
A case study developed for evaluation of model-based process control in API manufacturing, in which DynoChem models were used.
2015-Dec-09

Talking Chemistry: Salts, Buffers, and pH Calculations
Dr Wilfried Hoffmann demonstrates modeling of dissociation and salt precipitation in aqueous solutions using DynoChem
2015-Nov-12

Guest: Shujauddin Changi, Eli Lilly: Model and Experimental Driven Approach to Develop and Innovate Batch & Continuous Process Development for Grignard Reactions
Use of experiments and DynoChem kinetic models to develop batch & continuous processes for Grignard reactions; example of successful scale-up. CSTR.
2015-Nov-04

Guest: Chris Pink, GSK: Ensuring consumption of a genotoxic starting material in API manufacture through kinetics and mixing studies
Application of modeling and mixing studies for a biphasic reaction with genotoxic starting material
2015-Oct-14

Guest: Chris Hone, University of Leeds: Evolution and Validation of Kinetic Motifs using Continuous-Flow Reactors
Example of use of DynoChem in continuous flow reactor design. PFR.
2015-Oct-08

Guest: Prof. Rex Reklaitis, Purdue University "A Course of Batch Process Design and Analysis using DynoChem"
Case study of DynoChem use in academia for teaching
2015-Sep-25

Continuous processing: New DynoChem features and guidance
Review and demos of new DynoChem tools for reactions in continuous flow (PFRs and CSTRs)
2015-Sep-15

Solvent swap distillation: New DynoChem features and guidance
Review and demos of how to apply DynoChem for solvent swap distillation
2015-Aug-25

Guest: Georges Assaf, UCB: Modelling Acid-Base Equilibria using DynoChem: Acid-Catalysed Condensation
Case study, generating better understanding of acid-catalysed reaction from a mechanistic basis and optimization of yield.
2015-Aug-05

Review of initial model for tangential flow filtration (TFF)
Walkthrough and discussion of future requirements.
2015-Jul-21

Guest: Shane Grosser, Merck: Development and Scale up of Gas-Liquid Systems Facilitated through Process Modeling
Case studies using DynoChem for scale up of gas-liquid systems
2015-Jul-08

Guest: Tumisang Seodigeng, Resolution Circle: Kinetic Modeling Study and Scale-up of Biogas Generation
A case study for scale-up of a batch digester using Michaelis-Menten kinetics.
2015-Jun-10

Welcome and basic training for New DCR Members: Complete five quick projects in 1 hour
Exclusive webinar for new DCR members: How to find tools and use them to answer your questions quickly.
2015-Apr-15

Guest: Ben Cohen, BMS: Use of Solubility Maps to Develop Robust Crystallizations
A case study demonstrating the use of DynoChem and high-throughput experimentation to construct a reliable solubility map for defining and optimizing crystallization process conditions.
2015-Apr-08

Solubility Prediction for Solvent Selection using DynoChem
Discussion of methods available in DynoChem for modeling the solubility of organic, non-electrolyte solutions in common solvents and mixtures
2015-Feb-19

Development and Scale-up of Hydrogenation Reactions using DynoChem
Wilfried Hofffmann will present how to apply the newly enhanced DynoChem hydrogenation model library to support successful process development and scale-up of this very common synthesis reaction.
2015-Jan-22

Using Qr in DynoChem Models
Wilfried Hofffmann will review how to apply the DynoChem heat flow model library to achieve common goals in process design and safety
2014-Dec-11

Guest: Mannheim University of Applied Science: Kinetic Studies in Microreactors - Requirements for reliable data and successful reactor scale-up
In the webinar, important experimental requirements for successful kinetic investigations are discussed, such as the influence of residence time distribution, mixing performance and heat transfer. PFR.
2014-Nov-19

Lies, damned lies and statistics: How to get a good parameter fit and judge its quality
Andrew Bird, Joe Hannon and Wilfried Hofffmann will review how to obtain good model parameter estimates using DynoChem's Fitting window and how to quantify how well they fit.
2014-Sep-24

New Tools for Predicting and Optimizing Crystal Size Distribution using DynoChem
In this webinar, Joe Hannon will review a series of newly available DynoChem tools and workflows for predicting and optimizing crystallization processes.
2014-Sep-17

Guest: Nick Falco, GSK: Development of an ammonolysis reaction kinetics model for improved process understanding and parametric flexibility
Use of DynoChem for kinetic modeling to improve manufacturing process and support parametric flexibility in the operating space
2014-Sep-10

Guest: Sarah Rothstein, Nalas Engineering: Kinetic and manufacturing evaluations of 2,6-diaminopyrazine-1-oxide (DAPO) production
Webinar describes development of a DynoChem kinetic model to study starting material decomposition, impurity formation, evaluate manufacturing options, and compare batch vs. continuous operation. PFR, CSTR.
2014-Aug-13

Guest: Chris Mitchell, Takeda: Development of a modeling-based strategy for the safe and effective scale-up of highly energetic hydrogenation reactions
Webinar describes development of DynoChem model to take into consideration kinetics, reactor heat transfer capabilities and gas-liquid mass transfer for scale-up of highly energetic hydrogenation reactions
2014-Jul-09

Guest: Andrew Cosbie, Amgen: Building Value into Process Understanding and Engineering Assessments
The use of the process schemes as a communication tool between engineers and scientists, management, and contract manufacturing organizations will be discussed.
2014-Jun-18

Guest: Flavien Susanne, Novartis: Application of QbD in Continuous Processing: Approach Supported by DynoChem Process Simulation
Presentation will describe a methodology based on process simulation put in place for the development of a three consecutive continuous transformations and its transfer to kg scale facilities.
2014-Jun-11

Guest: Franjo Jovic, Pliva: Modelling based approach to process development for the API synthesis hydrogenation step
Design space for an API hydrogenation reaction step defined using DynoChem and model predictions verified with experimental results.
2014-May-14

Chemical Engineering 5: Filtration and Centrifugation process design with DynoChem
How to use DynoChem to design filtration and centrifugation processes. Highlights of case studies. Use of models to fit lab filtration data; predict scale up to larger filters and centrifuges
2014-Mar-11

Talking Chemistry 5: Save time and develop better reactions with DynoChem
Module 5
2014-Mar-10

Chemical Engineering 4: Preliminary crystallization process design with DynoChem
How to use DynoChem for preliminary crystallization design. Importance of solubility. Use of solubility regression and design utility to fit solubility data; design cooling and anti-solvent crystallizations
2014-Mar-04

Talking Chemistry 4: Setting chemical reactions and rate laws in DynoChem
Module 4
2014-Mar-03

Chemical Engineering 3: Fast, easy simulation of solvent swap distillation with DynoChem
How to use DynoChem to design a solvent swap distillation. Pilot plant case study; modeling benefits. Use of VLLE utility to assess phase behavior, azeotropes, operating pressure. Use of model to compare put and take with continuous feed
2014-Feb-25

Talking Chemistry 3: Leverage Reaction Kinetics from Experimental Data
Module 3
2014-Feb-24

DynoChem Introduction for SSPC Academic Institutions
1 hour introduction
2014-Feb-20

Chemical Engineering 2: Scale-up of Fed batch reactions with DynoChem
How to use DynoChem to scale-up fed batch reactions. Review of vessel mixing, process schemes. Use of Estimate UA utility to find minimum safe addition time. Use of Liquid mixing utility to find agitator speed and addition time for equivalent mixing
2014-Feb-18

Talking Chemistry 2: Save time and develop better reactions with DynoChem
Module 2
2014-Feb-17

Chemical Engineering 1: Scale-up of Batch reactions with DynoChem
How to use DynoChem to scale-up batch reactions. Hydrogenolysis case study. Review of process schemes. Use of solid-liquid mixing utility to determine agitator speed to suspend solids (NJS)
2014-Feb-11

Talking Chemistry 1: Save time and develop better reactions with DynoChem
Module 1
2014-Feb-10

Power Users Session 8 (Americas): VLLE calculations using DynoChem
Discussion on phase-equilibria including NRTL and vapor-phase association
2014-Feb-04

Right First Time Scale-up with the DynoChem Mixing and Heat Transfer Utilities: Crystallization
If you need to ensure right first time scale-up of crystallizations, you should be using the DynoChem utilities for mixing and heat transfer calculations. Watch this recording to learn how.
2014-Jan-15

Incorporate your own equipment in DynoChem utilities
Hear about how to add equipment data for your company, your CRO and CMO partners, into the vessel utilities database tab.
2013-Dec-17

Guest: Bernhard Berger, Siegfried AG: Applications of DynoChem in Thermal Process Safety – Optimization of Accumulation and Time to Maximum Rate
By means of an exothermal oxidation it is shown how with a few experiments a DynoChem model for heat generation can be generated.
2013-Dec-11

Guest: Bernhard Berger, Siegfried AG: Anwendungen von DynoChem in der Prozess-Sicherheit - Optimierung von Akkumulation und TMR
Am Beispiel einer exothermen Oxidationsreaktion wird gezeigt, wie mit wenigen Experimenten ein DynoChem Modell der Wärmeerzeugung dieser Reaktion bestimmt werden kann.
2013-Dec-11

Updates and demo of the DynoChem vessel mixing and heat transfer utilities
Now you can model baffles in detail, their effect on vortex depth, wetted area and power input.
2013-Dec-05

Guest: Andrew Derrick, Pfizer: DynoChem applications in a busy commercial plant
Andrew Derrick of Pfizer describes the application of DynoChem to scale-up of fed batch reactions from the lab to the plant using Qr data
2013-Nov-19

Power Users Session 7 (Americas): Supplemental Matlab example: Running DynoChem in the background
Running DynoChem under automation via Matlab for Monte-Carlo simulations (BMS), illustrated by Jake Albrecht of BMS.
2013-Nov-15

Power Users Session 7 (Americas): Running DynoChem in the background
Running DynoChem under automation from the add-in and externally (e.g. Python)
2013-Nov-12

Talking Chemistry: Hydrogenation of nitro groups and reactions involving NBS
The webinar will cover how to characterize these reactions and scale-up successfully, highlighting good starting points for these projects in the DynoChem Resources website.
2013-Oct-30

DynoChem solubility predictions: hints and tips for users
Will summarize best practise for applications in crystallization, reaction and extraction. And comment about application to excipients selection in formulation design.
2013-Oct-23

DynoChem applications in Drug Product formulation and dissolution
Review of DynoChem tools addressing Drug Product applications, including solubility prediction, formulation design, dissolution, stability and disproportionation.
2013-Oct-17

Guest: Gearoid Duane, UCD: Application of DynoChem in the Development of High Cell Density Bacterial Fermentation
Gearoid shows how DynoChem can be used for process development and scale-up of bioreaction / fermentation / large-molecule steps (mAbs).
2013-Oct-09

Power Users Session 6 (Europe/Asia): acid-base chemistry in DynoChem
Acid-base chemistry including calculating pH, setting pKas, amine resolution examples.
2013-Oct-01

Guest: Ed Delaney, Reaction Science: Application of DynoChem in CMC Regulatory Support
Ed shows how DynoChem kinetic models can be used to address concerns related to control of genotoxic impurities (for example sulfonate ester) in Pharmaceutical APIs
2013-Sep-25

Power Users Session 5 (Americas): Modelling Process Control in DynoChem
Process control examples including PI, on-off, cascade and slave-master control.
2013-Sep-03

Talking Chemistry: Optical Resolution Modelling in DynoChem
Using DynoChem to make predictions of the best ratio of acid to amine for an optimum resolution
2013-Aug-28

Talking Chemistry: Suzuki Coupling Modelling in DynoChem
Using DynoChem to make predictions for Suzuki Coupling Reactions from a few targeted experiments
2013-Aug-21

Guest: Shane Grosser, Merck: Application of DynoChem in Process Development and Commercialization
Shane Grosser of Merck will show how Merck integrated DynoChem as part of their process development culture, including how they made modeling easier, faster and more valuable for a diverse user community, and a case study or two.
2013-Aug-14

Guest: Dan Hallow, BMS: Application of DynoChem Reaction Modeling to Quality by Design
Dan Hallow of BMS describes how DynoChem was used in a QbD approach for commercialization of an API step, especially to control formation of a critical impurity.
2013-Jul-24

Flow Chemistry (America/Europe): New DynoChem tools for plug flow reactors
July 2013 sees the launch of a new set of DynoChem tools to support Flow Chemistry. In this webinar, Wilfried Hoffmann reviews tools for plug flow reactors (PFRs).
2013-Jul-18

Flow Chemistry (America/Europe): New DynoChem tools for CSTRs
July 2013 sees the launch of a new set of DynoChem tools to support Flow Chemistry. In this webinar, Peter Clark reviews tools for continuous stirred tank reactors.
2013-Jul-17

General Interest (Asia/Europe): DynoChem Introduction for brand new users: Process Design and Optimization
For managers, chemical engineers and scientists interested in tools for Accelerating Process Development
2013-Jun-13

Talking Chemistry: Solid Base Catalysis with Potassium or Caesium Carbonate
Using DynoChem to make optimization decisions for the common application of base catalyzed reactions with solid carbonate
2013-Jun-11

General Interest: Fast, Easy Physical Properties Calculations for Solvents and Mixtures
Dr Peter Clark introduces DynoChem tools addressing calculating physical properties for common solvents and mixtures for process optimization.
2013-May-23

General Interest (Americas): What DynoChem Can Do for Process Safety
Dr Wilfried Hoffmann will review the broad range of process safety calculations that may be carried out easily using DynoChem for process optimization
2013-May-22

Guest: Will Trieu, Amgen: Practical Applications of Filtration and Centrifugation Modelling in DynoChem
Will Trieu of Amgen describes the experimental and modelling approach Amgen uses for predictive scale-up of filtration time and process optimization.
2013-May-08

General Interest: DynoChem Tools for Liquid-Liquid Extraction
Joe Hannon and Andrew Bird will introduce DynoChem tools for predicting liquid-liquid extraction processes and process optimization
2013-Apr-24

General Interest: Ten Ways to Save Time and Experiments using DynoChem
Joe Hannon and Andrew Bird spend 45 minutes reviewing 10 ways you can save time in process development, optimization and scale-up work using DynoChem.
2013-Apr-03

Talking Chemistry: Save time and develop better reactions with DynoChem, Module 5
Module 5 (repeat from 2012, see http://scale-up.eventbrite.com): Addition of a feed, introduction of physical properties
2013-Mar-25

Talking Chemistry: Save time and develop better reactions with DynoChem, Module 4
Module 4 (repeat from 2012, see http://scale-up.eventbrite.com): More details about entering chemical reactions and rate laws into DynoChem
2013-Mar-18

Talking Chemistry: Using ordinary HPLC data to optimise reactions in DynoChem
Dr Joe Hannon and Wilfried Hoffmann review the many ways in which ordinary HPLC analytical data may be used with DynoChem to obtain reaction kinetics and optimise reactions
2013-Mar-11

Talking Chemistry: Save time and develop better reactions with DynoChem, Module 2
Module 2 (repeat from 2012, see http://scale-up.eventbrite.com): Continue batch reaction model and more about Simulator
2013-Mar-04

Talking Chemistry: Save time and develop better reactions with DynoChem, Module 1
Module 1 (repeat from 2012, see http://scale-up.eventbrite.com): Starting from a blank Excel workbook to a simple batch reaction model and introduction of the Simulator
2013-Feb-25

General Interest (Asia/Europe): Right first time scale-up from lab to plant with DynoChem
In this webinar, Dr Joe Hannon will introduce DynoChem tools to support moving quickly and successfully from typical lab scale reactors to the pilot plant and larger scales, taking account of mixing, heat transfer and chemical kinetics.
2013-Feb-07

Guest: Jeremy Merritt, Eli Lilly: Implementing QbD in Pharmaceutical Salt Selection: Predicting Disproportionation
Dr Jeremy Merritt of Eli Lilly describes how and why a mechanistic model based on thermodynamics was built to predict disproportionation. Applications range from crystallization to drug product / formulation design.
2013-Jan-23

Guest: Rahn McKeown, GSK: Using DynoChem to Inform Experimental Design of Batch Crystallization
Rahn McKeown of GSK will describe how a simplified modeling strategy has been devised to minimize the experimental load for evaluating the design space of a crystallization.
2012-Dec-12

Talking Chemistry: Modeling and Scale-up of Hydrogenation Reactions
Dr Wilfried Hoffmann will review how hydrogenation reactions, very common in API synthesis, may be characterized and scaled successfully from lab to plant, using a combination of lab experimentation and predictive modeling.
2012-Nov-28

General Interest: Applying QbD and Design Space in Process Development: Recent Progress and Highlights
Dr Joe Hannon will review current best practice in applying QbD / Design Space in API process development; including items from AIChE 2012 and published cases from Scale-up Systems customers; with a demo of relevant DynoChem features.
2012-Nov-14

Hands-on Training: Asia/Europe: Predict solid-liquid reactions, Part 2
Part 2 of 2: Review of solution, Q&A.
2012-Oct-25

Hands-on Training: Asia/Europe: Predict liquid-liquid extraction operations
Part 2 of 2: Review of solution by trainer.
2012-Oct-11

General Interest: Scale-up from the Easymax to the Pilot Plant
Dr Joe Hannon will introduce DynoChem tools to support moving quickly and successfully from typical lab scale reactors to the pilot plant and larger scales, taking account of mixing, heat transfer and chemical kinetics.
2012-Sep-27

Talking Chemistry: Modeling reactions with solid starting materials or bases
Dr Wilfried Hoffmann will review the modeling, optimization and scale-up of reactions that use solid particles as a starting material or base.
2012-Sep-12

General Interest: Prediction of Drying Operations using DynoChem
Dr Joe Hannon will introduce DynoChem tools we recommend for application to simulation and scale-up of drying operations. Will include constant and falling rate periods; agitated, unagitated and intermittently agitated systems.
2012-Aug-31

General Interest: Fast, Easy Fluid Properties Calculations for Solvents and Mixtures
Dr Peter Clark will introduce DynoChem tools addressing calculating of fluid properties in common solvents and mixtures, including density, heat capacity, boiling point, phase diagrams, azeotropes and miscibility.
2012-Aug-15

General Interest: Recognize and Quantify Mixing Effects on Chemical Reactions
Dr Joe Hannon will discuss how recognize chemical reactions that are mixing-sensitive, then move to quantify mixing rates in different reactors at different scales, simulate behaviour and adjust operating conditions to improve performance.
2012-Aug-08

Hands-on Training: America/Europe: Scale-up of mixing processes - achieving equivalent mixing at different scales: part 2
Part 2 of 2: Review of solution to training and homework problems, further discussion about mixing.
2012-Jul-26

Hands-on Training: America/Europe: Scale-up of mixing processes - achieving equivalent mixing at different scales: part 1
Part 1 of 2: Introduction to exercises for participants to complete. Moving beyond rules of thumb such as constant power per unit volume.
2012-Jul-23

Talking Chemistry: How to model and predict acid/base equilibria and pH sensitive reactions
Dr Wilfried Hoffmann will discuss how to work with acid/base equilibrium constants (pKa values) in DynoChem models and calculate compositions of acid/base mixtures, pH profiles, and how to use this knowledge to model pH sensitive reactions.
2012-Jul-18

Hands-on Training: Fit solubility surface, design crystallization process: part 2
Part 2 of 2: Review of solution to design problem
2012-Jun-28

Hands-on Training: Fit solubility surface, design crystallization process: part 1
Part 1 of 2: Introduction to exercises for participants to complete.
2012-Jun-25

Guest: Marcello Bosco, Roche, Basel: Vessel Characterization and Reaction Modelling with DynoChem (Voted best presentation at European User Group Meeting)
Marcello described how scale-up simulation is used prior to production to identify the "right" reactor and to define dosing rates and cooling temperature to ensure process safety and product quality during production.
2012-Jun-21

Training: Safe reaction temperatures and the Optimization Module in DynoChem
Introductory training module, with only a basic knowledge of Microsoft Excel required.
2012-May-09

Training: Process Safety scenarios, loss of cooling and time to maximum rate
Introductory training module for chemists, with only a basic knowledge of Microsoft Excel required.
2012-May-02

General Interest: Ten Ways to Save Time and Experiments using DynoChem
Joe Hannon and Andrew Bird spent 45 minutes reviewing 10 ways you can save time in process development and scale-up work using DynoChem.
2012-Apr-26

Training: Chemists (Module 8): Heat transfer estimation and scale-up prediction
Part 8 introductory training module for chemists, with only a basic knowledge of Microsoft Excel required.
2012-Apr-25

Training: Chemists (Module 7): Addition of a jacket and temperature control
Part 7 introductory training module for chemists, with only a basic knowledge of Microsoft Excel required.
2012-Apr-11

Training: Chemists (Module 6): Addition of reaction heats, fitting of calorimetric data
Part 6 introductory training module, aimed at beginners, with only a basic knowledge of Microsoft Excel required.
2012-Apr-04

Training: Chemists (Module 5): Addition of a feed, introduction of physical properties
Part 5 introductory training module for chemists, aimed at beginners, with only a basic knowledge of Microsoft Excel required.
2012-Mar-28

Guest: Mark Hughes, GSK: Quantitative Time Course Analysis and the Evolution of a Dynamic Model, a Chemists Perspective
How to routinely generate data suitable for modelling and the value this has in its own right. Focus on HPLC analytical data.
2012-Mar-22

Training: Chemists (Module 4): Entering chemical reactions and rate laws in DynoChem
Part 4 introductory training module for chemists, aimed at beginners, with only a basic knowledge of Microsoft Excel required.
2012-Mar-14

Training: Chemists (Module 3): Entering experimental data, fitting of isothermal and non-isothermal rate constants
Part 3 introductory training module for chemists, aimed at beginners, with only a basic knowledge of Microsoft Excel required.
2012-Mar-07

Training: Chemists (Module 2): Addition of side reaction, introduction of yield calculation, more use of Simulator
Part 2 introductory training module for chemists, aimed at beginners, with only a basic knowledge of Microsoft Excel required.
2012-Feb-29

Training: Chemists (Module 1): From blank Excel workbook to simple batch reaction model and Simulator
Introductory training module for chemists, aimed at beginners, with only a basic knowledge of Microsoft Excel required.
2012-Feb-22

Talking Chemistry: How to model reaction mechanisms in elementary steps and benefit from enhanced mechanistic understanding
Review of techniques and advantages of modeling chemical reactions in DynoChem and especially the drawbacks of rate laws using fractional orders.
2012-Feb-15

General Interest: Design space and response surface mapping for process optimization, robustness and QbD
This event presented examples of response surfaces generated from DynoChem models, including customer cases from BMS and GSK and a demo of how to generate these results.
2012-Feb-09

General Interest: Scale-up Systems India - Improving Process Transfer with DynoChem
This event is aimed at managers, engineers and scientists who are involved in tech transfer activities and are looking for tools to assist with their projects.
2012-Jan-16

Guest: Naresh Chennamsetty, BMS: Determining Solubility of APIs and Intermediates
Click pause, then play to hear audio. Comparing the performance of NRTL-SAC with PC-SAFT and regressed-UNIFAC as implemented by DynoChem.
2011-Dec-06

Guest: Wilfried Hoffmann, Pfizer: Use of DynoChem in Process Development
Outlines core applications of DynoChem in developing chemical reaction processes, as implemented by Pfizer. Batch, fed-batch, PFR, CSTR.
2011-Dec-01

General Interest: DynoChem: What's in it for me?
Introductory webinar for scientists from India interested in knowing what DynoChem can do.
2011-Sep-13

Guest: Flavien Susanne, Pfizer: Development of a Continuous Crystallisation using DynoChem modelling
Flavien shows how one problem with variability in PSD/CSD was solved by simulating and changing the upstream solvent swap. CSTR.
2011-Jul-14

General Interest: Five New Process Modelling Success Stories from the Pharmaceutical Industry
Aimed at people who are new to DynoChem. Presented by Joe Hannon, reviewing recent customer success stories.
2011-Jul-05

General Interest: Predicting scale-up of solid-liquid separation
Walkthrough of new templates for filtration and centrifugation and new training exercise.
2010-Aug-19

For Managers: How to transform productivity in chemical development and scale-up using process modeling
For managers and team leaders to review best practices in adopting process modeling
2010-Jul-15

General Interest: Late phase crystallization process design based on solubility regression
Walkthrough of usage of late-phase solubility based process design utility
2010-Jul-08

Guest: David Place, Pfizer: Use of up-front thinking and modeling to define a better lab scale DOE study
Application of kinetic model to accelerate development using early phase 'shake-down' experiments
2010-Jun-17

General Interest: Early phase crystallization solvent selection and solubility prediction
Walkthrough of usage of new solubility modeling tool for early phase development.
2010-Jun-03

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Check out Customer Publications

Customer Publications

New Selected highlights at AIChE Annual Meeting 2019
Links to abstracts of presentations including Dynochem work by AbbVie, Alkermes, BMS, Hovione, Merck, Sarafinas Process & Mixing Consulting & Scale-up Systems.
2019-Nov-07

New Guest: Lauren McCullough, Dow: "Using DynoChem to Advance Process Insight with Limited Data"
Lauren will discuss using DynoChem to squeeze process insight from limited plant and experimental data for performance and safety evaluations.
2019-Oct-23

New Guest: Joe Harris, Johnson Matthey: "Crystallization Development in the Salt/Cocrystal Continuum – Use of PAT and DynoChem Modelling for Crystallization of a Metastable Form"
The presentation will focus on use of Dynochem simulation with PAT in crystallization process development
2019-Sep-11

Model-Based Scale-Up Predictions: From Micro- to Millireactors Using Inline Fourier Transform Infrared Spectroscopy
Scale-up predictions from a continuous flow micro- (lab) to milliscale (pilot or production) are important but not trivial. To overcome the necessity of time-consuming trials on the pilot or production scale, this work presents a model-based approach.
2019-Aug-07

Guest: Flavien Susanne, GSK: "How Process Simulation can Influence the Process Development and Control Strategy of a Drug Substance Asset"
At GSK, supported by a new modelling strategy, we are now embedding mechanistic and first principal models to support the process development phase and the control strategy of drug substance continuous processes from laboratory to manufacture.
2019-Jul-22

Guest: James Marek and Eric Moschetta, AbbVie: "Improving Process Development Workflows and Kinetic Understanding through PAT"
Please see (https://aiche.confex.com/aiche/2018/meetingapp.cgi/Paper/529180) and (https://aiche.confex.com/aiche/2018/meetingapp.cgi/Paper/529073)
2019-Jul-10

Development of an Operational Space Using Mechanistic Models for a Pd-Catalyzed Amidation Reaction Used in the Synthesis of ABT-530
Rigorous understanding of the impact of reaction parameters on the formation and rejection of impurities in a reaction is a critical part of process development.
2019-Jul-01

Talking Mixing: Reactive Mixing
Aaron Sarafinas introduces best practice methodologies for scale-up of mixing sensitive reactions and provides advice based on academic theory and real world applications
2019-Jun-19

In Situ Reaction Monitoring of Unstable Lithiated Intermediates through Inline FTIR Spectroscopy
Because a multitude of reactions with n‐butyllithium are of high industrial significance, an in‐depth process understanding is required to render potential scale‐up from the laboratory to production more efficient.
2019-Jun-12

Definitive screening designs for multistep kinetic models in flow
Currently, rate-based understanding of organic reactions employed in the manufacture of active pharmaceutical ingredients (APIs) is often not obtained.
2019-Jun-06

Talking Mixing: Multiphase Mixing
Aaron Sarafinas introduces some important parameters and provided advice for successful design and scale-up of mixing in stirred tank reactors with heterogeneous phases, e.g. solid-liquid or immiscible liquids
2019-May-29

Talking Mixing: Basics of Mixing
Aaron Sarafinas introduces some basics of mixing in agitated reactors from lab scale to production, such as flow, shear and blending; providing advice and drawing on international research and his own practical experiences in scale-up and optimization
2019-May-08

Advanced Size Distribution Control in Batch Cooling Crystallization Using Ultrasound
The combination of a small sonicated crystallizer operated as a seed generator with a large normal batch cooling crystallizer for growth of the seeds has been investigated.
2019-Apr-25

Applications of In Silico Solvent Screening and an Interactive Web-Based Portal for Pharmaceutical Crystallization Process Development
In an effort to reduce development time and costs associated with active pharmaceutical ingredient process solvent selection and crystallization design.
2019-Mar-21

Effects of Scale, Equipment, and Operation on Agglomeration during a Reactive Crystallization
Developing processes to deliver formulation-ready active pharmaceutical ingredients (APIs) in a robust and consistent manner comes with challenges.
2019-Feb-25

Process Intensification Strategies and Sustainability Analysis for Amidation Processing in the Pharmaceutical Industry
The amidation reaction between 4-chlorobenzoyl chloride (CBC) and diisopropylamine (DIPA) has been successfully intensified with the implementation of a number of process intensification (PI) options proven feasible in lab-scale experiments.
2019-Feb-21

An Introduction to Closed‐Loop Process Optimization and Online Analysis
An Introduction to Closed‐Loop Process Optimization and Online Analysis
2019-Jan-24

The Role of Residence Time Distribution in the Continuous Steady-State Mixed Suspension Mixed Product Removal Crystallization of Glycine
In this work, a vacuum-driven intermittent transfer technique has been implemented to solve transfer line blockage issues and facilitate steady-state cooling crystallization studies of α-glycine in a single- and two-stage MSMPR crystallizer.
2018-Nov-15

Guest: Claire MacLeod, AstraZeneca: “Use of the Dynochem centrifuge model to scale-up from lab to plant”
Claire will discuss scale-up of centrifugation processes from laboratory filtration data using DynoChem modelling tools
2018-Nov-14

Process Development of a Suzuki Reaction used in the Manufacture of Lanabecestat
We have developed a scalable Suzuki process towards the synthesis of lanabecestat (+)-camsylate, an active pharmaceutical ingredient that was recently investigated in a Phase III clinical program for the treatment of early Alzheimer’s Disease.
2018-Nov-07

Selected highlights at AIChE Annual Meeting 2018
Links to abstracts of presentations including DynoChem work by AbbVie, Dow, FDA, Hovione, Lilly, Merck, Pfizer, Zoetis
2018-Oct-23

Continuous‐flow Synthesis of Aryl Aldehydes by Pd‐catalyzed Formylation of Aryl Bromides Using Carbon Monoxide and Hydrogen
A continuous‐flow protocol utilizing syngas (CO and H2) was developed for the palladium‐catalyzed reductive carbonylation of (hetero)aryl bromides to their corresponding (hetero)aryl aldehydes.
2018-Oct-09

Evaluation of Just-Suspended Speed Correlations in Lab-Scale Tanks with Varying Baffle Configurations
Suspension of insoluble solids in stirred tanks is important for many operations in the pharmaceutical and specialty chemical industries.
2018-Oct-01

Guest: Barbara Wood, UCD Crystallization Group: "Utilizing DynoChem Modelling to Design the Continuous Crystallization of an Active Pharmaceutical Ingredient - Part II"
Barbara will build on her previous presentation with model development from further continuous crystallization experiments, including scale-up.
2018-Sep-12

Effects of Scale-Up on the Mechanism and Kinetics of Crystal Nucleation
Insight into nucleation kinetics and other nucleation parameters can be obtained from probability distributions of induction time measurements in combination with the classical nucleation theory.
2018-Aug-08

Guest: Aaron Sarafinas, Sarafinas Process & Mixing Consulting: "Using the "Bourne Protocol" to test mixing sensitivities in the lab"
This webinar will discuss an example from Advances in Industrial Mixing where we applied the “Bourne Protocol” in a Mettler-Toledo RC-1e™ calorimeter and identified critical mixing sensitivities in a reactive crystallization.
2018-Aug-08

Accelerating Active Ingredient Development with Early Stage DynoChem Simulations
This talk will cover the implementation of DynoChem in agrochemical process development as a resource for knowledge generation and project direction in time-restricted projects, where extensive experimentation is not possible.
2018-Jul-11

Stereoretentive Etherification of an α-Aryl-β-amino Alcohol Using a Selective Aziridinium Ring Opening for the Synthesis of AZD7594
A selective aziridinium ring-opening was used to etherify an α-aryl-β-amino alcohol with stereochemical retention. This transformation was achieved in a biphasic system to address phenoxide solubility and the formation of a sulfonate ester impurity.
2018-Jun-19

Minimize the Heat Accumulation at Production Scale by Modeling Qr of Exothermic Reaction
Reaction model built with data from calorimetry experiments enables prediction of optimal peroxide feed rate on scale-up of exothermic reaction to control heat accumulation within the production reactor capabilities.
2018-Apr-11

Process design methodology for organometallic chemistry in continuous flow systems
This publication summarises the methodology applied in the process design and scale up of fast, exothermic reactions using organometallic reagents for synthesis of intermediates in the production of Active Pharmaceutical Ingredient (API).
2018-Apr-07

Control of Crystallization PSD using DynoChem Simulation
Development and validation case study of a predictive QMOM model for the final crystallization step of Rasagiline mesylate.
2018-Feb-21

Dynamic Modeling of Intermediate and API Drying Operations
The characterization of drying kinetics for an API and isolated intermediates through the use of the Schlunder model is discussed. Work flow and experimental methods are shared and comparison of model simulations to actual plant performance is reviewed.
2018-Feb-14

High-Throughput Automated Design of Experiment (DoE) and Kinetic Modeling to Aid in Process Development of an API
A Design of Experiment (DoE) and kinetic screening study was carried out using an automated reaction screening platform, and as a case study, an early stage in the synthesis of a late phase developmental candidate was investigated.
2017-Dec-14

Development of a Safe and Scalable Process for the Preparation of Allyl Glyoxalate
While conversion of dialkyl tartrate esters to the corresponding glyoxalic acid esters has been well-documented, large scale application of some common laboratory protocols presents a myriad of challenges.
2017-Dec-06

Selected highlights at AIChE Annual Meeting 2017
Links to abstracts of DynoChem presentations by BMS, Merck, UCD Dublin, Hovione, AbbVie, APC, GSK
2017-Oct-23

Using DynoChem to support the development of Biotechnology-based semi-synthetic API Production
Dr Laszlo Tamas will talk about the role of process modelling using DynoChem in his work and will illustrate this with examples from API process development and scale-up
2017-Oct-18

Development of a Robust and Reusable Microreactor Employing Laser Based Mid-IR Chemical Imaging for the Automated Quantification of Reaction Kinetics
A robust, reusable microreactor coupled with laser based mid-IR chemical imaging and automated analysis is reported, for the first time, with its application to monitor and quantify fast organometallic chemistry in flow.
2017-Oct-13

Match-Making Reactors to Chemistry: A Continuous Manufacturing-Enabled Sequence to a Key Benzoxazole Pharmaceutical Intermediate
The focus of this study was to develop a chemical reaction sequence toward a key benzoxazole building block, required for clinical manufacturing of a lead candidate in the respiratory disease area.
2017-Oct-09

Development of a Leuckart-Wallach Reaction in Flow for the Synthesis of Abemaciclib
The development of a route for a key building block in the synthesis of abemaciclib is described. The route proceeds through a Leuckart–Wallach reductive amination in flow followed by an Ullmann amination with aqueous ammonia. PFR.
2017-Aug-16

Use of DynoChem to estimate kinetics parameters for reactive salting out crystallizations
Discusses the use of predictive modeling to gain a better understanding of processes and reduce the number of experiments required for process development and optimization. Using DynoChem precipitation model.
2017-Aug-09

Mechanistic investigation of a Ru-catalyzed direct asymmetric reductive amination reaction for a batch or continuous process scale-up: an industrial perspective
A comprehensive assessment of a Ru-catalyzed direct asymmetric reductive amination (DARA) reaction for producing an intermediate for an active pharmaceutical ingredient (API) was carried out. PFR.
2017-Aug-08

Screwing NaBH4 through a Barrel without a Bang: A Kneaded Alternative to Fed-Batch Carbonyl Reductions
In this work the application of green chemistry principles such as process intensification and the replacement of reagents and solvents to more benign alternatives were coupled with the advantages of continuous manufacturing.
2017-Jul-22

Using Dynochem Mixing utilities to ensure safe scale-up of a highly exothermic mixing limited reaction
Slides from guest webinar of 12 July 2017
2017-Jul-12

Modeling reduces nickel needed in catalytic reactions
Nickel catalysts are much less expensive than precious metal catalysts, but the large amounts of nickel catalyst used in many catalytic cross-coupling reactions still discourage industrial adoption.
2017-Jun-19

Evaluating runaway reaction scenarios during scale up to large scale using DynoChem
Slides from guest webinar of 14 June 2017
2017-Jun-14

Recent Developments in the Crystallization Process: Toward the Pharmaceutical Industry
Crystallization is one of the oldest separation and purification unit operations, and has recently contributed to significant improvements in producing higher-value products with specific properties and in building efficient manufacturing processes.
2017-Jun-08

Kinetic Modeling of the Nickel-Catalyzed Esterification of Amides
Nickel-catalyzed coupling reactions provide exciting tools in chemical synthesis. However, most methodologies in this area require high catalyst loadings, which commonly range from 10–20 mol % nickel.
2017-May-22

Utilizing DynoChem Modelling to Design the Continuous Crystallization of an Active Pharmaceutical Ingredient
Slides from guest webinar of 10 May 2017. MSMPR. CSTRs in series.
2017-May-10

Identification and characterisation of a salt form of Danirixin with reduced pharmacokinetic variability in patient populations
The natural variability of gastric pH or gastric acid reducing medications can result in lower and more variable clinical pharmacokinetics for basic compounds in patient populations.
2017-Apr-03

Development of Modeling Enhanced Work Streams to Optimize the Scale-up of Solvent Switches
Slides from guest webinar of 15 March 2017
2017-Mar-15

The Pharmaceutical Drying Unit Operation: An Industry Perspective on Advancing the Science and Development Approach for Scale-Up and Technology Transfer
The drying unit operation is used extensively in the pharmaceutical industry, but often a lack of understanding of the impact of the drying process parameters on active pharmaceutical ingredient critical quality attributes can create challenges.
2017-Feb-03

The Development of a Dimroth Rearrangement Route to AZD8931
Recently, the aminoquinazoline motif has been highly prevalent in anticancer pharmaceutical compounds. Synthetic methods are required to make this structure on a multikilo scale and in high purity.
2017-Feb-01

Development and Scale-up of a Biocatalytic Process To Form a Chiral Sulfoxide
A Baeyer–Villiger monooxygenase enzyme has been used to manufacture a chiral sulfoxide drug intermediate on a kilogram scale.
2017-Jan-04

Development of a concise, scalable synthesis of a CCR1 antagonist utilizing a continuous flow Curtius rearrangement
A convergent, robust, and concise synthesis of a developmental CCR1 antagonist is described using continuous flow technology. In the first approach, following an expeditious SNAr sequence for cyclopropane introduction, a safe, continuous flow ...
2017-Jan-03

Measurement and prediction of dabigatran etexilate mesylate Form II solubility in mono-solvents and mixed solvents
UV spectrometer method was used to measure the solubility data of dabigatran etexilate mesylate (DEM) Form II in five mono-solvents (methanol, ethanol, ethane-1,2-diol, DMF, DMAC) and binary solvent mixtures of methanol and ethanol.
2016-Dec-15

Incorporating DynoChem Process Simulation Software into a Chemical Engineering Programme
Dr Sandra Lenihan talks about how DynoChem has been used to support experimental labs, teaching and final year design projects at Cork Institute of Technology.
2016-Nov-30

Characterization of Lab and Plant Reactors Using Fast Competitive Reactions and a Predictive Model
Andrew and Joe present further experimental data and DynoChem model predictions to characterize mesomixing and micromixing in lab and plant reactors.
2016-Nov-16

Selected highlights at AIChE Annual Meeting 2016
Links to abstracts of DynoChem presentations by Hovione, BMS, Nalas, APC, UCD Dublin, UL Limerick, SSPC, Lilly, Pfizer, Abbvie, GSK
2016-Nov-04

Practical Synthesis of MDM2 Antagonist RG7388. Part 2: Development of the Cu(I) Catalyzed [3 + 2] Asymmetric Cycloaddition Process for the Manufacture of Idasanutlin
A concise catalytic asymmetric synthesis of idasanutlin (1) was developed in which the key pyrrolidine core, containing four contiguous stereocenters, was constructed via a Ag/MeOBIPHEP promoted [3 + 2] cycloaddition reaction.
2016-Oct-31

Characterization of Mixing in Reactors, Part 2
Andrew and Joe present experimental data and DynoChem model predictions to characterize mixing in lab and plant reactors. Easymax, RC1, Pilot. Bourne reactions.
2016-Oct-26

Development of a Control Strategy for a Final Intermediate to Enable Impurities Control
This manuscript describes the development of a control strategy for impurities in the final intermediate step of the asunaprevir drug substance utilizing the concepts outlined in the International Conference on Harmonisation guidelines.
2016-Oct-07

Rapid multistep kinetic model generation from transient flow data
oday, the generation of kinetic models is still seen as a resource intensive and specialised activity. We report an efficient method of generating reaction profiles from transient flows using a state-of-the-art continuous-flow platform.
2016-Oct-03

The scale-up of continuous biphasic liquid/liquid reactions under super-heating conditions: methodology and reactor design
Biphasic liquid/liquid reactions are commonplace, however their scale-up under super-heating conditions is not.
2016-Sep-02

DynoChem in TEVA API: Training colleagues for optimized use & implementation
Computational tools used in API Product Life-Cycle; Vision; Basic Training in TEVA API; Rxn Kinetics / RC1 data: leveraged for global training. DynoChem in-house Advanced Training; Success stories; Power User community.
2016-Aug-10

Characterization of Mixing in Reactors, Part 1
Andrew and Joe present experimental data and DynoChem model predictions to characterize mixing in lab and plant reactors. Easymax, RC1, Pilot. Bourne reactions. Feed position.
2016-Jul-01

A Scalable Synthesis of 2-(1,2,4-Oxadiazol-3-yl)propan-2-amine Hydrobromide Using a Process Safety-Driven Protecting Group Strategy
A safe and scalable synthesis of 2-(1,2,4-oxadiazol-3-yl)propan-2-amine hydrobromide is described.
2016-Jun-15

Mitigating the risk of Coprecipitation of Pinacol during Isolation from Telescoped Miyaura Borylation and Suzuki Couplings Utilizing Boron Pinacol Esters: Use of Modeling for Process Design
How Lilly used process modeling to develop an effective control strategy to mitigate the unexpected precipitation of pinacol while telescoping a class of reactions.
2016-Jun-08

O-Phenylisourea Synthesis and Deprotonation: Carbodiimide Elimination Precludes the Reported Chapman Rearrangement
The kinetics of the addition of phenol to diisopropylcarbodiimide, and reaction of the resulting N,N′-diisopropyl-O-phenylisourea with hydroxide, are reported.
2016-May-23

Palbociclib Commercial Manufacturing Process Development. Part I: Control of Regioselectivity in a Grignard-Mediated SNAr Coupling
This manuscript focuses on the SNAr coupling between aminopyridine 3 and chloropyrimidine 7.
2016-May-12

Investigation of Variable Impurity Profile from a Mitsunobu Reaction Using Insights from Kinetic Modeling, Multi-Phase Interactions, and Computational Fluid Dynamics
A drug substance intermediate synthesis involving a Mitsunobu coupling reaction using triphenylphosphine and diisopropyl azodicarboxylate was investigated to understand the variable levels of an impurity.
2016-Apr-11

Industrial Crystallization in China
The latest developments of industrial crystallization in China are reviewed. This includes the introduction of representative scientists and institutions promoting the progress of Chinese industrial crystallization
2016-Apr-09

Development and Scale-up of Acrylamide Formation Using an Impinging Jet
Reaction kinetics and response surface simulations were used to reduce the chloro impurity to acceptable levels in a fit-for-purpose flow chemistry solution.
2016-Feb-10

Mitigating the Risk of Coprecipitation of Pinacol during Isolation from Telescoped Miyaura Borylation and Suzuki Couplings Utilizing Boron Pinacol Esters: Use of Modeling for Process Design
A Quality by Design (QbD) approach was used to illustrate the control strategy and provide a maximally flexible process for manufacturing to maintain high purity of the intermediate.
2015-Dec-21

Model-Based Process Control in API Manufacturing: A QbD-vantage!
In this guest webinar, Samrat Muhjerjee, Associate Director at AbbVie, discusses how Quality-by-Design in API synthesis is facilitated by the use of DynoChem models.
2015-Dec-09

Selected highlights at AIChE Annual Meeting 2015
Links to abstracts of DynoChem presentations by Lilly, Abbvie, APC, Merck, GSK, Nalas, Pfizer and Hovione
2015-Nov-26

Mono- and tri-ester hydrogenolysis using tandem catalysis. Scope and mechanism
The scope and mechanism of thermodynamically leveraged ester RC(O)O–R′ bond hydrogenolysis by tandem metal triflate + supported Pd catalysts are investigated both experimentally and theoretically by DFT and energy span analysis.
2015-Nov-26

Model and Experimental Driven Approach to Develop and Innovate Batch & Continuous Process Development for Grignard Reactions
Changi describes a strategy for using experiments and DynoChem kinetic models to develop Grignard reactions for batch and continuous operation, and shares an example where this approach was used to deliver a safe, robust process at commercial scale.
2015-Nov-04

Kinetics Model for Designing Grignard Reactions in Batch or Flow Operations
This paper describes the development of a “fit for use” model for a Grignard reaction, which was used to produce an intermediate compound during the manufacture of API for edivoxetine hydrochloride.
2015-Oct-29

Ensuring Quality Through Understanding Kinetics and Mixing
Slides from webinar on Ensuring Consumption of a Genotoxic Starting Material in API Manufacture through the use of Kinetics and Mixing Studies
2015-Oct-14

Evolution and validation of kinetic motifs using continuous-flow reactors
Chris Hone presents an example of how DynoChem is used for continuous flow reactor (PFR) design from his PhD work in Chemical Process Research and Development at iPRD, University of Leeds.
2015-Oct-07

A Kinetics-Based Approach for the Assignment of Reactivity Purge Factors
The control of mutagenic impurities is of crucial interest to pharmaceutical companies and regulatory agencies alike.
2015-Oct-05

A course on batch process design and analysis using DynoChem
In this guest webinar, Professor Reklaitis presented an example of how DynoChem is used in academia for teaching by members of the Academic Program.
2015-Sep-25

Impurity Profiling, Kinetics, and Representative Sampling from Reaction Slurries.
Adobe Presenter format presentation featuring use of the EasySampler with DynoChem.
2015-Sep-24

Rapid Decision Making Enabled Through Chemical Process Intensification.
Adobe Presenter format presentation featuring applications of DynoChem utilities and models for process intensification.
2015-Sep-24

Modelling Acid-Base Equilibria using DynoChem: Acid-Catalysed Condensation
A case study demonstrating the use of DynoChem to generate better understanding of acid-catalysed reaction from a mechanistic basis and optimization of yield.
2015-Aug-12

Kinetic Modeling Study and Scale-up of Biogas Generation
A case study for scale-up of a batch digester using Michaelis-Menten kinetics.
2015-Aug-12

Development and Scale up of Gas-Liquid Systems Facilitated through Process Modeling
Case studies using DynoChem to develop and scale up gas-liquid systems: pressure swings to dry and degas solvents; solvent evaporation to reduce reaction by-products; vessel characterization and optimization of a biocatalytic oxidation.
2015-Aug-12

Application of Safety by Design Methodology in Evaluating Process Safety for a Duff Reaction Using Predictive Process Simulators
This work presents a Safety by Design (SbD)-driven approach to the evaluation of process safety and reaction modeling that was effective in obtaining enhanced process knowledge and defining a design space for chemical reaction hazards.
2015-Jul-30

Solid–Liquid Suspension in Pilot Plants: Using Engineering Tools to Understand At-Scale Capabilities
To address time lost due to inadequate assessment and understanding of solid suspension issues, empirical studies were conducted at pilot scale using a calcium carbonate and deionized water (DIW) system.
2015-Jul-14

Appearance of a New Hydrated Form during Development: A Case Study in Process and Solid-State Optimization
The appearance of a new solid phase during the development of a small molecule presents significant challenges for optimizing form control during crystallization and mitigating potential delays in development timelines.
2015-Jun-26

Design of Safe Energetic Process Using the Advanced Flow Reactor
Conventional manufacturing of energetic materials includes the use of batch and semi-batch reactors. These methods offer flexibility at the cost of safety, reproducibility and often times higher cost products.
2015-Jun-16

Use of solubility maps to develop robust crystallizations
A case study demonstrating the use of DynoChem and high-throughput experimentation to construct a reliable solubility map for defining and optimizing crystallization process conditions.
2015-Jun-03

Using Data-Rich Experimentation to Enable the Development of Continuous Processes

2015-May-20

IR and NMR Reaction Monitoring Techniques for Nucleophilic Addition Reactions: In Situ Monitoring of the Addition of Benzimidazole to a Pyridinium Salt
This study centers on the use of in situ FTIR spectroscopy and online NMR to study the nucleophilic addition of benzimidazole analogues to an N-methylpyridinium salt. The reaction consists of two stages.
2015-Mar-30

Mechanism of Phosphine Borane Deprotection with Amines: The Effects of Phosphine, Solvent and Amine on Rate and Efficiency
The kinetics of borane transfer from simple tertiary phosphine borane adducts to a wide range of amines have been determined.
2015-Feb-20

Kinetic studies in microreactors – requirements for reliable data and successful reactor scale-up
Slides from DynoChem Guest Webinar by Thorsten Roder of Hochschule Mannheim, held on 19 November 2014
2014-Dec-10

METHOD FOR PREDICTION OF PHARMACEUTICAL SOLUBILITY FOR SOLVENT SELECTION
Presentation at AIChE Annual Meeting 2014 on the Regressed UNIFAC method for solubility prediction
2014-Dec-10

Development of Flow Processes for the Syntheses of N-Aryl Pyrazoles and Diethyl Cyclopropane-cis-1,2-dicarboxylate
N-Aryl pyrazoles were prepared from anilines in a three step telescoped approach. An aniline was diazotized to give the diazonium fluoroborate, followed by reduction with tin(II) chloride to give the corresponding hydrazine.
2014-Nov-20

High cell density cultivation of Pseudomonas putida KT2440 using glucose without the need for oxygen enriched air supply
High Cell Density (HCD) cultivation of bacteria is essential for the majority of industrial processes to achieve high volumetric productivity (g L−1 h−1) of a bioproduct of interest.
2014-Nov-19

Selected highlights and talks featuring DynoChem at AIChE Annual Meeting 2014
List and links to presentations by and of interest to DynoChem users at AIChE 2014, including AbbVie, BMS, GSK, Lilly, Nalas Engineering, Pfizer, Scale-up Systems
2014-Nov-19

Kinetic and Scale-up Investigations of a Michael Addition in Microreactors
Process development using microreactors (PFR) for an exothermic Michael addition is presented using DynoChem tools. This includes consideration of the assumption of ideal plug flow, local mixing at the feed point and heat transfer.
2014-Oct-14

Development of a Continuous Plug Flow Process for Preparation of a Key Intermediate for Brivanib Alaninate
A continuous (PFR) process was developed using both Qr and composition data to mitigate the potential thermal runaway and allow for safer scale-up.
2014-Oct-14

Development of an ammonolysis reaction kinetics model for improved process understanding and parametric flexibility
Development of an ammonolysis reaction kinetics model in Dynochem and use of the model to improve the manufacturing process and define parametric flexibility in the operating space
2014-Sep-17

Development of a Modeling-Based Strategy for the Safe and Effective Scale-up of Highly Energetic Hydrogenation Reactions
A modeling-based strategy is disclosed for identifying reaction conditions for the safe and effective scale-up of highly energetic hydrogenation reactions.
2014-Aug-30

Kinetic and manufacturing evaluations of 2,6-diaminopyrazine-1-oxide (DAPO) production
Development of a DynoChem kinetic model to study starting material decomposition, impurity formation, evaluate manufacturing options, and compare batch vs. continuous operation
2014-Aug-20

In-situ Analyses of Unstable Compounds in Batch and Flow Conditions
In-situ analyses using React-IR were applied to several reactions. Kinetics were fitted using DynoChem.
2014-Jul-31

Development of a modeling-based strategy for the safe and effective scale-up of highly energetic hydrogenation reactions
Development of DynoChem model to take into consideration kinetics, reactor heat transfer capabilities and gas-liquid mass transfer for scale-up of highly energetic hydrogenation reactions
2014-Jul-16

Application of Kinetic Modeling and Competitive Solvent Hydrolysis in the Development of a Highly Selective Hydrolysis of a Nitrile to an Amide
A combination of mechanism-guided experimentation and kinetic modeling was used to optimise a reaction and eliminate the major reaction impurity. The model was then used to check process robustness on a 90 kg scale.
2014-Jul-16

Process Schemes: Building Value into Process Understanding and Engineering Assessments
How Amgen uses process schemes as a living document to communicate among engineers, scientists, management and CMOs; to capture key process parameters, rates, ranges and references; to facilitate engineering assessments and risk assessments
2014-Jul-16

Model Driven Process Design and Development for a Continuous Process
Case study where kinetic models were used to drive process development of a continuous amination
reaction. Kinetic model was first used to optimize the process by minimizing impurity.
Then, to compare PFR and CSTRs wrt process upsets/ disturbances, RTD.
2014-Jul-14

Application of QbD in Continuous Processing: Approach Supported by DynoChem Process Simulation
A methodology based on process simulation using DynoChem was used to develop three consecutive continuous transformations, transfer them to kilogram scale facilities and generate the design space based on the QbD ICH Q8 guidelines
2014-Jun-18

Applicability evaluation of AspenONE and DynoChem for solubility modeling in the pharmaceutical industry
The goal was to select the most appropriate models for prediction of gas-liquid, liquid-liquid and solid-liquid solubilities and to compare the obtained data with experimental data in order to determine the most suitable model for a specific system.
2014-Jun-10

Application of In Situ Raman Spectroscopy To Facilitate Use of Hydrogen Peroxide on Kilogram Scale
The safe implementation of a hydrogen-peroxide-mediated oxidation of a poorly reactive sulfide to the corresponding sulfone is described.
2014-Jun-09

Modelling based approach to process development for the API synthesis hydrogenation step
Franjo Jovic of Pliva presents the design space for an API hydrogenation reaction step defined using DynoChem and model predictions verified with experimental results.
2014-May-21

Applications of DynoChem in Thermal Process Safety
Working with a highly exothermic oxidation reaction, it is shown how a DC model for heat flow / Qr can be created from a few RC1 experiments, to evaluate a parameter space and assure thermal process safety
2014-Mar-20

Application of Kinetic Modeling and Competitive Solvent Hydrolysis in the Development of a Highly Selective Hydrolysis of a Nitrile to an Amide
A combination of mechanism-guided experimentation and kinetic modeling was used to develop a mild, selective, and robust hydroxide-promoted process for conversion of a nitrile to an amide.
2014-Feb-11

Application of DynoChem in the Development of High Cell Density Bacterial Fermentation
Gearoid Duane of UCD shows how DynoChem can be used for process development of fermentations (mAbs)
2014-Jan-15

Predicting 24 and 8 h Adiabatic Decomposition Temperature for Low Temperature Reactions by Kinetic Fitting of Nonisothermal Heat Data from Reaction Calorimeter (RC1e)
A new approach to determine the adiabatic decomposition temperature is presented here, using a combination of nonisothermal heat data and DynoChem kinetic modeling for the low temperature decomposition of a lithiated halogenated aromatic intermediate.
2014-Jan-10

Use of Modeling and Process Analytical Technologies in the Design of a Catalytic Amination Reaction: Understanding Oxygen Sensitivity at the Lab and Manufacturing Scales
An experimental mechanistic study was undertaken to understand the effect of oxygen on the reaction. A reactor model was then used to control dissolved oxygen levels on scale.
2013-Nov-28

DynoChem Applications in a Busy Commercial Plant
Applications: Scale-up of laboratory heat flow data to pilot and production scale to assist validation based on maximum temperature Assumptions: well mixed phases, dosing controlled reaction
2013-Nov-21

Featured DynoChem Papers and Sessions at AIChE Annual Meeting 2013
List of sessions and papers at AIChE 2013 that feature DynoChem and Scale-up Systems. Including Amgen, BMS, Lilly, Nalas Engineering, Pfizer, UCD.
2013-Nov-21

Late Phase Solubility: an Advanced Automated Workflow to Support Crystallization Development
Review of the value of solubility data in late phase chemical development, development of an automated workflow to generate the data, parameter estimation and use of the solubility curves in DynoChem.
2013-Sep-27

Application of DynoChem in CMC Regulatory Support
Ed shows how DynoChem kinetic models can be used to address concerns related to control of genotoxic impurities (for example sulfonate ester) in Pharmaceutical APIs
2013-Sep-25

Application of DynoChem in Process Development and Commercialization
Shane Grosser of Merck shows how they integrated DynoChem into their process development culture, making models easy to use by hundreds of users on a regular basis.
2013-Sep-25

Modeling-based Development of an Enantioselective Hydrogenation Reaction of a Sitagliptine Intermediate
This work presents a quality by design (QbD) driven approach to experiments and DynoChem modeling that was effective in obtaining enhanced process knowledge and defining a design space.
2013-Sep-09

Application of DynoChem Reaction Modeling to Quality by Design
Dan Hallow of BMS describes how DynoChem was used in a QbD approach for commercialization of an API step, especially to control formation of a critical impurity.
2013-Aug-14

Mechanisms of the Thermal and Catalytic Redistributions, Oligomerizations, and Polymerizations of Linear Diborazanes
Linear diborazanes R3N–BH2–NR2–BH3 (R = alkyl or H) are often implicated as key intermediates in the dehydrocoupling/dehydrogenation of amine-boranes to form oligo- and polyaminoboranes.
2013-Aug-13

Model-Based Scale-up and Design Space Determination for a Batch Reactive Distillation with a Dean–Stark Trap
A detailed model of a reactive distillation was developed with water removed via a Dean-Stark trap (liquid-liquid separator) for calculation of Design Space (QbD). Common cause variability and model parameter uncertainty were also accounted for.
2013-Jul-22

Enquiry based learning in chemical engineering curriculum supported by computer aided delivery
Traditional curriculum delivery in higher education has long been considered ineffective in promoting deep learning. Enquiry based learning (EBL) provides an opportunity to develop important professional attributes within the subject-specific content.
2013-Jul-08

Reaction Kinetics of Nucleophilic Substitution in the Synthesis of Moxifloxacin
Describes use of DynoChem alongside experiments at Dr Reddys to identify the possible reaction pathway and the role of base in order to obtain improved yield with significantly reduced levels of impurities.
2013-Feb-21

Introduction of CAPE into an active pharmaceuticals ingredients company
Describes the process, experiences and results at ChemAgis with the training of R&D and Pilot Department professional staff in the use of CAPE software, including DynoChem.
2013-Feb-21

Optimization of the Manufacturing Route to PF-610355 ( 1 ): Synthesis of Intermediate 5
Tertiary carbinamine 5 is an isolated intermediate in the synthesis of a novel, inhaled β-2 adrenoreceptor agonist PF-610355. Process development for the key amide-formation and Ritter reactions, together with reaction understanding studies are discussed.
2013-Feb-05

Optimization of the Manufacturing Route to PF-610355 ( 2 ): Synthesis of the API
PF-610355 is a novel inhaled β-2 adrenoreceptor agonist. Process development of the final intermediate and the API are discussed with emphasis on the control of physical properties and subsequent isolations.
2013-Feb-05

Optimization of the Manufacturing Route to PF-610355 (1): Synthesis of Intermediate 5
Tertiary carbinamine 5 is an isolated intermediate in the synthesis of a novel, inhaled β-2 adrenoreceptor agonist PF-610355. Process development for the key amide-formation and Ritter reactions, together with reaction understanding studies are discussed.
2013-Feb-05

Optimization of the Manufacturing Route to PF-610355 (2): Synthesis of the API
PF-610355 is a novel inhaled β-2 adrenoreceptor agonist. Process development of the final intermediate and the API are discussed with emphasis on the control of physical properties and subsequent isolations.
2013-Feb-05

Selection of an Enantioselective Process for the Preparation of a CGRP Receptor Inhibitor
Two routes to the chiral indazolyl amino ester subunit were developed - either a Rh-catalyzed asymmetric hydrogenation or a biocatalytic process to install the single chiral center. The advantages and disadvantages of each process route are discussed.
2012-Dec-21

Featured DynoChem Papers and Sessions at AIChE Annual Meeting 2012
List of sessions and papers at AIChE 2012 that feature DynoChem and Scale-up Systems. Including BMS, Lilly, Nalas Engineering, Scale-up Systems.
2012-Oct-24

Mechanism of Metal-Free Hydrogen Transfer between Amine−Boranes and Aminoboranes
The kinetics of the metal-free hydrogen transfer from amine–borane Me2NH•BH3 to aminoborane iPr2N═BH2, yielding iPr2NH•BH3 and cyclodiborazane [Me2N-BH2]2 via transient Me2N═BH2, have been investigated in detail
2012-Sep-27

Implementing Quality by Design in Pharmaceutical Salt Selection: A Modeling Approach to Understanding Disproportionation
A mechanistic model based on thermodynamics was built to predict disproportionation.
2012-Aug-24

Development of a Process for the Preparation of Chloromethyl Chlorosulfate
A new and efficient synthesis of chloromethyl chlorosulfate (CMCS) from chloroiodomethane and chlorosulfonic acid is described.
2012-Aug-24

Intermolecular Alkyne Hydroacylation. Mechanistic Insight from the Isolation of the Vinyl Intermediate That Precedes Reductive Elimination
The isolation of the branched alkenyl intermediate that directly precedes reductive elimination of the final α,β-unsaturated ketone product is reported for the hydroacylation reaction between two alkyne.
2012-Jul-26

Drying Process Optimization for an API Solvate Using Heat Transfer Model of an Agitated Filter Dryer
Paper from Abbott, using modified Schlunder model to optimize drying conditions
2012-Jun-29

Computer aided delivery of case-based learning activities in EBL within chemical engineering curriculum
Enquiry Based Learning (EBL) in chemical engineering education provides an opportunity to develop important professional attributes of innovative problem solving, team work, initiative and communication skills within the subject-specific content.
2012-Jun-22

Enquiry-based Learning in Engineering Curriculum: are we preparing graduates ready to face future challenges?
The School initiated a substantial curriculum redesign leading to introduction of an Enquiry Based Learning approach via industrially relevant case studies throughout the curriculum, using industry standard software packages (DynoChem and HYSYS).
2012-Jun-19

Kinetic and Mechanistic Insight into the Thermodynamic Degradation of Saxagliptin
Kinetic and Mechanistic Insight into the Thermodynamic Degradation of Saxagliptin
2012-Apr-11

ReactNMR and ReactIR as Reaction Monitoring and Mechanistic Elucidation tools
ReactNMR and ReactIR as Reaction Monitoring and Mechanistic Elucidation tools
2012-Apr-11

Modeling-Based Approach Towards Quality by Design (QbD) for the Ibipinabant API Step
Modeling-Based Approach Towards Quality by Design (QbD) for the Ibipinabant API Step
2012-Apr-11

Development of a Practical Synthesis of a Pyrazolopyridinone-Based p38 MAP Kinase Inhibitor
Development of a Practical Synthesis of a Pyrazolopyridinone-Based p38 MAP Kinase Inhibitor
2012-Apr-11

Kinetic Understanding Using NMR Reaction Profiling
Kinetic Understanding Using NMR Reaction Profiling
2012-Apr-04

Understanding and Control of Dimethyl Sulfate in a Manufacturing Process: Kinetic Modeling of a Fischer Esterification Catalyzed by H2SO4
Understanding and Control of Dimethyl Sulfate (sulfonate ester formation) in a Manufacturing Process: Kinetic Modeling of a Fischer Esterification Catalyzed by H2SO4. Control of genotoxic impurities.
2012-Apr-04

Lean Filtration: Approaches for the Estimation of Cake Properties
Lean Filtration: Approaches for the Estimation of Cake Properties
2012-Apr-04

Modeling, Screening and PAT: The Development of a Pharmaceutical Crystallization
Modeling, Screening and PAT: The Development of a Pharmaceutical Crystallization
2012-Apr-04

Safe, Convenient ortho-Claisen Thermal Rearrangement Using a Flow Reactor
Presents a process that utilized a tube reactor to make 80 g of an early phase intermediate in a short time while mitigating the potential chemistry hazards. Continuous. PFR.
2012-Apr-04

Use of DynoChem in Process Development
Presentation of how DynoChem has been used in process development at Pfizer
2012-Feb-07

Development of a Generic Mechanism for the Dehydrocoupling of Amine-Boranes: A Stoichiometric, Catalytic, and Kinetic Study of H3B·NMe2H Using the [Rh(PCy3)2]+ Fragment
The multistage Rh-catalyzed dehydrocoupling of the secondary amine-borane H3B•NMe2H, to give the cyclic amino-borane [H2BNMe2]2, has been explored using catalysts based upon cationic [Rh(PCy3)2]+ (Cy = cyclo-C6H11)
2012-Jan-19

Kinetic Modeling and Optimization of Operating Parameters for Transvinylation of Lauric Acid
The kinetic parameters and the thermodynamic parameters of the transvinylation of lauric acid were estimated using DynoChem. The optimum operating parameters were then predicted using the model and verified by performing the corresponding experiments.
2012-Jan-04

ReactNMR and ReactIR as Reaction Monitoring and Mechanistic Elucidation Tools: The NCS Mediated Cascade Reaction of α-Thioamides to α-Thio-β-chloroacrylamides
On-flow ReactIR and 1H NMR reaction monitoring, coupled with in situ intermediate characterization, was used to aid in the mechanistic elucidation of the N-chlorosuccinimide mediated transformation of an α-thioamide.
2011-Oct-26

AIChE 2011 Annual Meeting: Papers by and of interest to DynoChem users
AIChE 2011 Annual Meeting: Papers by and of interest to DynoChem users
2011-Oct-11

Discovery of a Novel, Efficient, and Scalable Route to Bendamustine Hydrochloride: The API in Treanda
Process Research and Development activities leading to a new and efficient route to bendamustine hydrochloride, the active ingredient in Treanda, a treatment for blood cancers, are disclosed.
2011-Aug-13

Model-Guided Design Space Development for a Drug Substance Manufacturing Process
An Example of Utilizing Mechanistic and Empirical Modeling in Quality by Design
2011-Jul-26

Crystallization Process Improvement Driven by DynoChem Process Modeling
Crystallization Process Improvement Driven by DynoChem Process Modeling
2011-Jul-14

America’s Top Modelers: Pharmaceutical Manufacturing
America’s Top Modelers: Accelerating Pharma Process Development in Pharmaceutical Manufacturing
2011-Jun-01

Reaction Kinetics as a tool to underpin Control Strategy
Reaction Kinetics as a tool to underpin Control Strategy
2011-May-30

A Data Driven Model Based Approach to Scale up of Hydrogenation Reactions in the API Industry
A Data Driven Model Based Approach to Scale up of Hydrogenation Reactions in the API Industry
2011-May-30

Applications in Kilo Lab Flow Chemistry and Scale-up
Includes examples of modeling reactions in a PFR and centrifugation.
2011-May-30

Scaling Up and Plant-to-Plant Transfer of Safety Data for an Exothermic Reaction
Scaling Up and Plant-to-Plant Transfer of Safety Data for an Exothermic Reaction. Calorimetry. Gas evolution. Qr. Rc1, ARC.
2011-May-30

Modeling Solid-Liquid Separations: Fine-tuning the Filtration Model
Modeling Solid-Liquid Separations: Fine-tuning the Filtration Model
2011-May-30

Kinetics of a SnAr Reaction
Kinetics of a SnAr Reaction
2011-May-30

Process Model = Process Understanding?
Process Model = Process Understanding?
2011-May-30

Thermal Scale-up – Vessel Characterization and Reaction Modelling with DynoChem
Thermal Scale-up – Vessel Characterization and Reaction Modelling with DynoChem
2011-May-30

Models, Mass Balance, and Analytical Data
Models, Mass Balance, and Analytical Data
2011-May-30

Process analysis of the conversion of styrene to biomass and medium chain length polyhydroxyalkanoate in a two-phase bioreactor
Process analysis of the conversion of styrene to biomass and medium chain length polyhydroxyalkanoate in a two-phase bioreactor
2011-May-18

Abstracts and Program for DynoChem User Meeting London
Abstracts and Program for DynoChem User Meeting London
2011-May-18

America’s Top Modelers: PharmaQbD site
America’s Top Modelers: Accelerating Pharma Process Development on PharmaQbD site
2011-May-13

DynoChem Modeling for API Process Development: Early Stage Linking of Laboratory to At-Scale Performance
DynoChem Modeling for API Process Development: Early Stage Linking of Laboratory to At-Scale Performance
2011-May-11

Applications of the Simple Filtration and Centrifugation Tool
Applications of the Simple Filtration and Centrifugation Tool
2011-May-11

Using DynoChem to Inform Experimental Design of Batch Crystallization: Case Studies in Scoping, Optimization, and Robustness
Using DynoChem to Inform Experimental Design of Batch Crystallization: Case Studies in Scoping, Optimization, and Robustness
2011-May-11

Modelling Small Molecule Synergistic Solubility Behavior
Modelling Small Molecule Synergistic Solubility Behavior
2011-May-11

Pilot Scale Design and Continuous Manufacture of Novel Explosives Using Kinetic Modelling
Pilot Scale Design and Continuous Manufacture of Novel Explosives Using Kinetic Modelling
2011-May-11

Abstracts and Program for DynoChem User Meeting Chicago
Abstracts and Program for DynoChem User Meeting Chicago
2011-May-10

Development of Kinetic Model and Process Prediction
Development of Kinetic Model and Process Prediction
2011-Apr-28

Scale Up Perspectives in Pharmaceutical Industry
Scale Up Perspectives in Pharmaceutical Industry
2011-Apr-28

Kinetic Model Development for Reversible Reactions
Kinetic Model Development for Reversible Reactions
2011-Apr-28

Accelerate Process Development and Scale-up using Process Modeling
Accelerate Process Development and Scale-up using Process Modeling
2011-Apr-28

Abstracts and Program for DynoChem User Meeting Mumbai
Abstracts and Program for DynoChem User Meeting Mumbai
2011-Apr-27

Genotoxic Impurities: Strategies for Identification and Control
Modeling of reactions that can produce genotoxic impurities; comparison of model results with experimental data. Using the model to indicate the risk associated with using certain reagents. Work completed in PQRI collaborative project.
2011-Mar-29

An Example of Utilizing Mechanistic and Empirical Modeling in Quality by Design
An Example of Utilizing Mechanistic and Empirical Modeling in Quality by Design
2010-Nov-19

A Mechanistic Insight into a Simple C−N Bond Formation via SN2 Displacement: A Synergistic Kinetics and Design of Experiment Approach
A Mechanistic Insight into a Simple C−N Bond Formation via SN2 Displacement: A Synergistic Kinetics and Design of Experiment Approach
2010-Oct-04

AIChE 2010 Annual Meeting: Papers by and of interest to DynoChem users
AIChE 2010 Annual Meeting: Papers by and of interest to DynoChem users
2010-Sep-15

A Detailed Study of Sulfonate Ester Formation and Solvolysis Reaction Rates and Application toward Establishing Sulfonate Ester Control in Pharmaceutical Manufacturing Processes
A Detailed Study of Sulfonate Ester Formation and Solvolysis Reaction Rates and Application toward Establishing Sulfonate Ester Control in Pharmaceutical Manufacturing Processes. From PQRI project on genotoxic impurities.
2010-Mar-31

Efficient Synthesis of 8-Oxa-3-aza-bicyclo[3.2.1]octane Hydrochloride
Efficient Synthesis of 8-Oxa-3-aza-bicyclo[3.2.1]octane Hydrochloride
2010-Feb-28

Up-front Thinking to Design a Better Lab Scale DoE
Up-front Thinking to Design a Better Lab Scale DoE
2009-Nov-01

Use of Mechanistic Models to Develop Design Spaces for Drug Substance Production
Use of Mechanistic Models to Develop Design Spaces for Drug Substance Production
2009-Nov-01

QbD Approach to Crystallization Process Design using Process Modeling
QbD Approach to Crystallization Process Design using Process Modeling
2009-Oct-01

Presentations by and of interest to DynoChem users: ACT, AAPS and AIChE 2009
Presentations by and of interest to DynoChem users: ACT, AAPS and AIChE 2010
2009-Sep-01

Feasibility study for a passive trip system to prevent a runaway reaction in a batch reactor
Feasibility study for a passive trip system to prevent a runaway reaction in a batch reactor
2009-Aug-31

Quality by design (QbD) for drug substance scale-up
Quality by design (QbD) for drug substance scale-up
2009-Jul-01

Highly efficient asymmetric synthesis of Sitagliptin
Highly efficient asymmetric synthesis of Sitagliptin
2009-Jun-01

All abstracts: DynoChem User Group Meeting 2009
All abstracts: DynoChem User Group Meeting 2010
2009-May-01

All distributable presentations: DynoChem User Group Meeting 2009
Including Abbott, Amgen, AstraZeneca, Chemagis, GSK, Lilly, Merck, Pfizer, Wyeth
2009-May-01

Practical Insight on New Model Development: Filtration and Centrifugation
Practical Insight on New Model Development: Filtration and Centrifugation
2009-May-01

DynoChem Applications in Abbott's Process Safety Laboratory
DynoChem Applications in Abbott's Process Safety Laboratory. Calorimetry. ARC, Rc1, Qr, Hydrogenation, UA.
2009-May-01

Practical aspects of distillation modeling in DynoChem
Practical aspects of distillation modeling in DynoChem
2009-May-01

Why Study a Synthetically Useless Reaction? - Unravelling Sulphonate Ester Formation using DynoChem
Unravelling Sulphonate Ester (Sulfonate Ester) Formation using DynoChem. From PQRI project on genotoxic impurities.
2009-May-01

Optimization and Scale Up of chemical reaction during an API project development
Optimization and Scale Up of chemical reaction during an API project development
2009-May-01

An Example from GSK's Design for Manufacture Initiative: Use of Dynochem in Conjunction with Lab and Pilot Scale Data to Advance Process Understanding
An Example from GSK's Design for Manufacture Initiative: Use of Dynochem in Conjunction with Lab and Pilot Scale Data to Advance Process Understanding
2009-May-01

Pilot Plant Unit Operations Modeling as a Process Scale Tool
Pilot Plant Unit Operations Modeling as a Process Scale Tool
2009-May-01

Roles of mechanistic and empirical modeling / DOE in achieving Quality by Design
Roles of mechanistic and empirical modeling / DOE in achieving Quality by Design
2009-May-01

Using DynoChem to Scale Up Data from Various Calorimeters
Using DynoChem to Scale Up Data from Various Calorimeters
2009-May-01

Development of a high performance, company specific DynoChem front-end
Development of a high performance, company specific DynoChem front-end
2009-May-01

How Process Safety and Environmental lab can guide Process Development
How Process Safety and Environmental lab can guide Process Development
2009-May-01

Lean and green, the value of API process design
Lean and green, the value of API process design
2009-May-01

DynoChem Modelling of 3 Continuous Stirred Tank Reactors
DynoChem Modelling of 3 Continuous Stirred Tank Reactors
2009-May-01

Modeling is the Easy Part! : Getting the right data and getting the data right is the challenging part!
Modeling is the Easy Part! : Getting the right data and getting the data right is the challenging part!
2009-May-01

Using DynoChem to determine a suitable sampling endpoint for reaction analysis in a DoE
Using DynoChem to determine a suitable sampling endpoint for reaction analysis in a DoE
2009-May-01

Reaction kinetics and optimization of the copper-catalyzed oxidation of ApoA-1M
This paper summarizes the development of an optimized Cu(II)-catalyzed oxidation process for the dimer formation of ApoA-1M, the protein component of an HDL mimic with potential efficacy in atherosclerotic plaque reduction.
2009-Mar-05

N,N′-Carbonyldiimidazole-Mediated Amide Coupling: Significant Rate Enhancement Achieved by Acid Catalysis with Imidazole·HCl
Over a series of 10 aromatic amines we show the rate of CDI mediated amidation to be significantly enhanced upon introduction of imidazole·HCl as a proton source for acid catalysis.
2008-Dec-05

N,N'-Carbonyldiimidazole-mediated Amide Coupling: Significant rate enhancement achieved by acid catalysis with Imidazole.HCl
N,N'-Carbonyldiimidazole-mediated Amide Coupling: Significant rate enhancement achieved by acid catalysis with Imidazole.HCl
2008-Dec-01

Data-Mining and Modeling of a Centrifuge
Data-Mining and Modeling of a Centrifuge
2008-Nov-01

The Design and Scale-up of an API Crystallization: Process Understanding Supported by Modeling to Achieve Consistency
The Design and Scale-up of an API Crystallization: Process Understanding Supported by Modeling to Achieve Consistency
2008-Nov-01

An Example from GSK's Design for Manufacture Initiative: Use of Dynochem In Conjunction with Lab and Pilot Scale Data to Advance Process Understanding
An Example from GSK's Design for Manufacture Initiative: Use of Dynochem In Conjunction with Lab and Pilot Scale Data to Advance Process Understanding
2008-Nov-01

Process Modeling Based Approach towards Quality by Design for An API Synthetic Step
Process Modeling Based Approach towards Quality by Design for An API Synthetic Step
2008-Nov-01

Use of In-Line FTIR for the Kinetic Study of the Reaction and Degradation of Propylene Oxide In the Synthesis of a Pharmaceutical Intermediate
Use of In-Line FTIR for the Kinetic Study of the Reaction and Degradation of Propylene Oxide In the Synthesis of a Pharmaceutical Intermediate
2008-Nov-01

Understanding the Impact of Magnesium to Grignard Reaction Kinetic through on-Line Monitoring
Understanding the Impact of Magnesium to Grignard Reaction Kinetic through on-Line Monitoring
2008-Nov-01

Integration of PAT for the Development and Scale-up of a Hydrogenolysis Reaction
Integration of PAT for the Development and Scale-up of a Hydrogenolysis Reaction
2008-Nov-01

An Application of Reaction Engineering and Modeling In Quality by Design
An Application of Reaction Engineering and Modeling In Quality by Design
2008-Nov-01

Optimization of API Drying Via Hemi-Solvate Conversion Kinetics
Optimization of API Drying Via Hemi-Solvate Conversion Kinetics
2008-Nov-01

Quality by Design and the Role of Mechanistic Modelling
Quality by Design and the Role of Mechanistic Modelling
2008-Oct-08

A catalyzed and highly selective ester reduction in the synthesis of an N-Acylpyrrolidine: Safe design through reaction calorimetry and modeling
A catalyzed and highly selective ester reduction in the synthesis of an N-Acylpyrrolidine: Safe design through reaction calorimetry and modeling
2008-Oct-01

Process Safety Testing and Process Modeling in the PSL Using DynoChem
Process Safety Testing and Process Modeling in the PSL Using DynoChem. Calorimetry. ARC, Rc1, Qr, Hydrogenation.
2008-Oct-01

Scale-up of Safety Data using Dynochem
Scale-up of Safety Data using Dynochem. Calorimetry. Gas evolution. Qr. Rc1, Omnical, ARC.
2008-Oct-01

Overview of DynoChem for safety applications
Overview of DynoChem for safety applications
2008-Oct-01

Green chemistry using continuous distillation to cut solvent usage
Green chemistry using continuous distillation to cut solvent usage
2008-Jun-08

Modeling-Based Approach towards On-Scale Implementation of a Methanethiol-Emitting Reaction
Modeling-Based Approach towards On-Scale Implementation of a Methanethiol-Emitting Reaction
2008-Mar-08

Application of mechanistic thinking to create process understanding and support QbD in pharmaceutical process development and scale-up
Application of mechanistic thinking to create process understanding and support QbD in pharmaceutical process development and scale-up
2008-Feb-01

Application of mechanistic thinking to create process understanding and support QbD in pharmaceutical process development and scale-up
Application of mechanistic thinking to create process understanding and support QbD in pharmaceutical process development and scale-up
2008-Feb-01

Development of a scalable synthesis of GSK183390A, a PPAR alpha / gamma agonist
Development of a scalable synthesis of GSK183390A, a PPAR alpha / gamma agonist
2007-Nov-01

Application of Modeling in a Qbd Context
Application of Modeling in a Qbd Context
2007-Nov-01

Modeling Based Approach towards on-Scale Implementation of a Methanethiol Emitting Reaction
Modeling Based Approach towards on-Scale Implementation of a Methanethiol Emitting Reaction
2007-Nov-01

Potential of S88, Batchml and Other Standards in Streamlining Process Modeling
Potential of S88, Batchml and Other Standards in Streamlining Process Modeling
2007-Nov-01

Modeling challenges in process development
Modeling challenges in process development
2007-Jun-01

Optimising reaction performance in the pharmaceutical industry by monitoring with NMR
Optimising reaction performance in the pharmaceutical industry by monitoring with NMR
2007-May-01

All abstracts: DynoChem User Group Meeting 2007
Including AstraZeneca, BMS, Chemagis, Dow, GSK, Lilly, Makhteshim, Merck, Monsanto, P&G, Pfizer, Rohm and Haas
2007-May-01

All distributable presentations: DynoChem User Group Meeting 2007
Including AstraZeneca, BMS, Chemagis, Dow, GSK, J&J, Lilly, Makhteshim, Merck, Monsanto, P&G, Pfizer, Rohm and Haas
2007-May-01

Application of DynoChem to kinetics in the laboratory and pilot plant.
Application of DynoChem to kinetics in the laboratory and pilot plant.
2007-May-01

Redesign and scale-up of an API crystallisation process
Redesign and scale-up of an API crystallisation process
2007-May-01

Modeling based approach towards on-scale implementation of a methanethiol emitting reaction
Modeling based approach towards on-scale implementation of a methanethiol emitting reaction
2007-May-01

Using DynoChem to reduce batch cycle time in a gas-liquid reactor and commission a new unit.
Using DynoChem to reduce batch cycle time in a gas-liquid reactor and commission a new unit.
2007-May-01

Optimizing a multiphase reaction using DynoChem
Optimizing a multiphase reaction using DynoChem
2007-May-01

Modeling and optimizing adiabatic multiphase, multisolid reaction systems with DynoChem
Modeling and optimizing adiabatic multiphase, multisolid reaction systems with DynoChem
2007-May-01

Scale-up optimization using simulation experiments.
Scale-up optimization using simulation experiments.
2007-May-01

GSK approach to enhancing process understanding using DynoChem: reaction kinetics examples
GSK approach to enhancing process understanding using DynoChem: reaction kinetics examples
2007-May-01

A case study of data-driven and model-based scaleup approach for API process development
A case study of data-driven and model-based scaleup approach for API process development
2007-May-01

Combined Experimental and Modeling Study of a Crystallization-Induced Dynamic Resolution
Combined Experimental and Modeling Study of a Crystallization-Induced Dynamic Resolution
2007-May-01

Exploitation of Crystallisation Analysis Tools in DynoChem to Predict Scale-Up
Exploitation of Crystallisation Analysis Tools in DynoChem to Predict Scale-Up
2007-May-01

Facilitating late stage development through integrated process modeling
Facilitating late stage development through integrated process modeling
2007-May-01

Discovery and development of a novel asymmetric hydrogenation of an unprotected enamine in the synthesis of Januvia: process improvements via mechanistic insight.
Discovery and development of a novel asymmetric hydrogenation of an unprotected enamine in the synthesis of Januvia: process improvements via mechanistic insight.
2007-May-01

Scale-up from RC1 and ARC safety tests using DynoChem
Scale-up from RC1 and ARC safety tests using DynoChem. Calorimetry. Gas evolution. Qr. Rc1, Omnical, ARC.
2007-May-01

Comparative evaluation of commercial software for kinetic parameter estimation.
Comparative evaluation of commercial software for kinetic parameter estimation.
2007-May-01

DynoChem and homogeneous mixing: an example
DynoChem and homogeneous mixing: an example
2007-May-01

DynoChem case studies in the safety lab
DynoChem case studies in the safety lab. Calorimetry. ARC, Rc1, Qr, kinetics.
2007-May-01

A kinetic investigation into the removal of carbobenxyloxy group from protected amines via hydrogenolysis reaction
A kinetic investigation into the removal of carbobenxyloxy group from protected amines via hydrogenolysis reaction
2007-Apr-01

Screening Adiabatic calorimetry: Simulation phi=1 in glass test cells by increasing the concentration
Screening Adiabatic calorimetry: Simulation phi=1 in glass test cells by increasing the concentration
2006-Jul-01

Emerging Technologies Supporting Chemical Process R&D and Their Increasing Impact on Productivity in the Pharmaceutical Industry
Review of parallel experiments (DoE), reaction kinetic modelling, kinetic analysis, QbD (design space) and new technologies (e.g. continuous reactions)
2006-May-27

Does Manufacturing in the Pharmaceutical Industry Lag Far Behind Potato Chip Makers?
Does Manufacturing in the Pharmaceutical Industry Lag Far Behind Potato Chip Makers?
2005-Dec-01

Modeling and Reactor Design for a highly Exothermic Reaction System
To identify safe operating conditions, a three step kinetic rate expression is postulated. The fitted model is used to select the best reactor configuration. Validation by successfully running both glass-plant and pilot plant scale batches.
2005-Nov-01

Modeling Fouling Effects in LDPE Tubular Polymerization Reactors. 3. Computational Fluid Dynamics Analysis of a Reacting Zone
Modeling Fouling Effects in LDPE Tubular Polymerization Reactors. 3. Computational Fluid Dynamics Analysis of a Reacting Zone
2005-Feb-28

Development of an Electrical Resistance Tomography Reactor for Pharmaceutical Processes
A review of tomography systems suitable for industrial implementation and design considerations for tomographic sensors has allowed the design of an ERT sensor compatible with stringent process requirements.
2005-Feb-01

Application of Process Modelling Tools in the Scale-Up of Pharmaceutical Crystallisation Processes
Application of Process Modelling Tools in the Scale-Up of Pharmaceutical Crystallisation Processes
2004-Nov-01

Identification of New Catalysts to Promote Imidazolide Couplings and Optimisation of Reaction Conditions Using Kinetic Modelling
Identification of New Catalysts to Promote Imidazolide Couplings and Optimisation of Reaction Conditions Using Kinetic Modelling
2004-Oct-01

The role of CAPE in the development of pharmaceutical products
The role of CAPE in the development of pharmaceutical products
2003-Dec-31

Scale-up of homogeneous and heterogeneous reaction systems based on kinetic modelling and RC1 data in DynoChem
Scale-up of homogeneous and heterogeneous reaction systems based on kinetic modelling and RC1 data in DynoChem
2003-Sep-01

FBRM-based strategies for the control of particle size in APIs
FBRM-based strategies for the control of particle size in APIs
2003-Jun-01

Modelling Drug Release from Multi-layered Compacts with Potential for Zero-order Release Kinetics
Modelling Drug Release from Multi-layered Compacts with Potential for Zero-order Release Kinetics
2003-Jun-01

Characterisation of the scalability of hydrogenation reactions
Characterisation of the scalability of hydrogenation reactions
2002-Sep-01

Dynamic Modelling for Batch Process Simulation: A Case Study and Software Tool Development
Abstract. Importance and complexity of multiphase batch processes and their rate behavior. Example batch reaction. Value of modeling and dynamic simulation. History / origin of DynoChem and the Process Scheme in Syngenta / Zeneca / ICI.
2002-Jun-01

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