R&amp;D Intensification in Polymer Catalyst and Product Development by Using High‐Throughput Experimentation and Simulation

Gruter, Gert‐Jan M.; Graham, Alasdair; McKay, Ben; Gilardoni, François

doi:10.1002/marc.200390015

Cited by 17 publications

(10 citation statements)

References 8 publications

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“…Recently, different high-throughput approaches for polyolefin research were reported by Avantium, [54] Mülhaupt and co-workers, [55] as well as Symyx. [56] In addition, Symyx and Dow described the discovery and development of novel polyolefin catalysts using high-throughput screening techniques, whereby primary, secondary and tertiary screening methods were used (Figure 8).…”

Section: Polyolefinsmentioning

confidence: 99%

Combinatorial Methods, Automated Synthesis and High‐Throughput Screening in Polymer Research: The Evolution Continues

Meier¹,

Hoogenboom²,

Schubert³

2003

Macromol. Rapid Commun.

118

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Summary: For speeding‐up preparation as well as investigating new polymeric materials, combinatorial techniques, parallel experimentation, and high‐throughput screening methods represent a very promising approach in polymer chemistry: a large variety of parameters can be screened simultaneously resulting in new structure–property relationships. As previously described, polymer chemistry seems to be perfectly suited for combinatorial approaches since it is relatively easy to vary many parameters during the synthesis, processing, blending, or compounding. Moreover, the development and application of high‐throughput screening techniques for polymer properties can accelerate the development of new materials and can result in new structure–property relationships. Therefore, these screening tools, together with parallel preparation techniques, will significantly decrease the time to market of new products. Here we provide an update of our recent overview covering new developments in the field of combinatorial and parallel polymer synthesis and high‐throughput screening.Development of high‐throughput screening techniques for polymer properties.magnified imageDevelopment of high‐throughput screening techniques for polymer properties.

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Section: Polyolefinsmentioning

confidence: 99%

Combinatorial Methods, Automated Synthesis and High‐Throughput Screening in Polymer Research: The Evolution Continues

Meier¹,

Hoogenboom²,

Schubert³

2003

Macromol. Rapid Commun.

118

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“…With regards to polymer degradation, most models rely on either discrete or continuous mathematical models performed in retrospect [12–14]. Numerous examples depend on specifically applying design of experiments (DoE) methodology for the development of polymeric materials, their synthesis, and characterization [15, 16, 6]. DoE utilizes statistics and probability to define the minimal number experimental runs required to determine the effects of selected independent variables on the properties of products [17–19].…”

Section: Introductionmentioning

confidence: 99%

Molecular design and evaluation of biodegradable polymers using a statistical approach

Lewitus

Rios

Rojas

et al. 2013

J Mater Sci: Mater Med

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The challenging paradigm of bioresorbable polymers, whether in drug delivery or tissue engineering, states that a fine-tuning of the interplay between polymer properties (e.g., thermal, degradation), and the degree of cell/tissue replacement and remodeling is required. In this paper we describe how changes in the molecular architecture of a series of terpolymers allow for the design of polymers with varying glass transition temperatures and degradation rates. The effect of each component in the terpolymers is quantified via design of experiment (DoE) analysis. A linear relationship between terpolymer components and resulting Tg (ranging from 34 to 86 °C) was demonstrated. These findings were further supported with mass-per-flexible-bond (MPFB) analysis. The effect of terpolymer composition on the in vitro degradation of these polymers revealed molecular weight loss ranging from 20 to 60% within the first 24 hours. DoE modeling further illustrated the linear (but reciprocal) relationship between structure elements and degradation for these polymers. Thus, we describe a simple technique to provide insight into the structure property relationship of degradable polymers, specifically applied using a new family of tyrosine-derived polycarbonates, allowing for optimal design of materials for specific applications.

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“…Hence, the creation of a sheltered climate for innovation and knowledge sharing is a challenge for modern businesses. Therefore along with modern data management systems, a modern infrastructure shall be able to capture and share the organization knowledge [1].…”

Section: Introductionmentioning

confidence: 99%

Development of an Integrated Informatics Toolbox: HT Kinetic and Virtual Screening

Farrusseng¹,

Clerc²,

Mirodatos³

et al. 2007

CCHTS

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We discuss thoroughly aspects and issues for the development of a bespoke, but generic, electronic infrastructure designed to cope with the dynamic in high-throughput experimentation and knowledge management, is applicable to large or contract research organizations. We present the first generation of an informatics platform developed for TOPCOMBI, a research project funded by the European Commission for Nanotechnology and Nanoscience. It is composed by an infrastructure and a collection of modules dealing with laboratory analytics, robotics, data handling and analytics, optimization, in-database processing and visualization, which are developed collegially by the partners of the Consortium. This best-of-breed informatics system enables the capture and the re-usage of processes and methodologies, i.e. process and data flows, using the workflow paradigm. Complex workflows designed by power users can be eventually used by either other domain experts or by novices through a web portal. Workflows can also be run interactively to allow visual analytics for instance, or automatically. We present two case studies dealing with the kinetic study of glycerol catalytic oxidation using parallel equipments, and a novel, fully integrated QSAR applied in heterogeneous catalysis, respectively.

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R&D Intensification in Polymer Catalyst and Product Development by Using High‐Throughput Experimentation and Simulation

Cited by 17 publications

References 8 publications

Combinatorial Methods, Automated Synthesis and High‐Throughput Screening in Polymer Research: The Evolution Continues

Combinatorial Methods, Automated Synthesis and High‐Throughput Screening in Polymer Research: The Evolution Continues

Molecular design and evaluation of biodegradable polymers using a statistical approach

Development of an Integrated Informatics Toolbox: HT Kinetic and Virtual Screening

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