Nature Communications Journal
We report a methodology using machine learning to capture chemical intuition from a set of (partially) failed attempts to synthesize a metal-organic framework. We define chemical intuition as the collection of unwritten guidelines used by synthetic chemists to find the right synthesis conditions. As (partially) failed experiments usually remain unreported, we have reconstructed a typical track of failed experiments in a successful search for finding the optimal synthesis conditions that yields HKUST-1 with the highest surface area reported to date. We illustrate the importance of quantifying this chemical intuition for the synthesis of novel materials.
University of Jena
Wiley Online Library
High‐throughput synthesis offers reliable experimental techniques for the rapid investigation of polymerization parameters as well as for the preparation of comprehensive polymer libraries with systematic variations for screening against different applications. This contribution summarizes the use of different high‐throughput methods available for the synthesis, characterization, and screening of polymeric materials. A critical viewpoint regarding the advantages, impact, current limitations, and future developments of these experimental techniques is also provided.
The University of Sheffield, Sheffield / AkzoNobel Decorative Paints, Slough
Reaction Chemistry & Engineering Journal
Over the past fifteen years or so, polymerization-induced self-assembly (PISA) has become widely recognized as a powerful and versatile platform technology for the synthesis of a wide range of block copolymer nanoparticles of controlled size, shape and surface chemistry. In the present study, we report that PISA formulations are sufficiently robust to enable high-throughput experiments using a commercial synthesis robot (Chemspeed Autoplant A100). More specifically …
Casoria (NA), Italy
“The Italian Group Natura has selected Chemspeed Technologies in order to allow precise and repeatable dispensing of soil with different origins. The overarching goal of this project is to accelerate soil contamination analysis and convert it into a precise, reliable process. This will provide the company with light-speed response to customer requests.”
High-throughput methods represent a very promising approach for the acceleration of soil contamination analysis. With increasingly stringent regulations, enhanced environmental consciousness, different soil origins and characteristics, and a vast number of analyses to perform, the FLEX POWDERDOSE provides the perfect solution to quickly and flexibly dispense any soil type in different container formats (cuvettes, vials, bottles, reactors, etc.) and provide immediate answers to demanding customers. A large number of samples can be prepared in one batch to be used for several contamination analyses: elution, mineralization, extraction and much more.
For Natura, “FLEX POWDERDOSE is an ideal tool in the preparation of powder samples as it allows the researchers to run 12 to 192 (or more) soil analysis experiments in 8 hours. This means automated dispensing of solids into ‘ready to use’ samples for testing or further sample preparation steps. The experimental results are then used to classify each soil type and provide a clear picture of current situation and possible remedies – an approach that the scientists at Natura have developed.”
The CSIRO Rapid Automated Materials and Processing Center (RAMP) synthesized nearly 1’500 individual polymers in 10 days at a 0.5-1.0 g scale, using a Chemspeed Technologies ISYNTH.
The CSIRO’s RAMP facility has been established to accelerate the development of new advanced materials and processes by matching robotic and automated equipment with the expertise of key scientists in one location.
September 2018 – San Diego, USA
“After broadly evaluating the solid dispensing market for its battery materials research, Wildcat Discovery Technologies has decided to implement Chemspeed’s versatile gravimetric solid dispensing technology (SWING POWDERDOSE) integrated in an MBraun glove-box.”
High-throughput discovery of organic cages and catenanes using computational screening fused with robotic synthesis
Department of Chemistry and Materials Innovation Factory, University of Liverpool
Department of Chemistry, Imperial College, London
Nature Communications Journal
Supramolecular synthesis is a powerful strategy for assembling complex molecules, but to do this by targeted design is challenging. This is because multicomponent assembly reactions have the potential to form a wide variety of products. High-throughput screening can explore a broad synthetic space, but this is inefﬁcient and inelegant when applied blindly. Here we fuse computation with robotic synthesis to create a hybrid discovery workﬂow for discovering new organic cage molecules, and by extension, other supramolecular systems. A total of 78 precursor combinations were investigated by computation and experiment, leading to 33 cages that were formed cleanly in one-pot syntheses. Comparison of calculations with experimental outcomes across this broad library shows that computation has the power to focus experiments, for example by identifying linkers that are less likely to be reliable for cage formation. Screening also led to the unplanned discovery of a new cage topology—doubly bridged, triply interlocked cage catenanes.
August 2018 – Dulles, USA
The Drug Enforcement Administration’s (DEA) Heroin Signature Program (HSP) and its Heroin Domestic Monitor Program (HDMP) aim to increase the DEA’s ability to identify the geographic origin of heroin in the U.S. wholesale and retail markets. These programs also gather data on heroin purity levels and trafficking trends into and across the United States. Both these programs require that many hundreds of heroin samples be analyzed at the DEA Special Testing and Research Laboratory (SFL1) every year. The DEA chose Chemspeed Technologies to provide an automated sample preparation platform to help handle this challenging workload by increasing throughput of sample analysis.
Ghent University, Belgium
Polymer Chemistry Journal
In this paper the optimization of the Cu(0)-mediated polymerization of n-butyl acrylate and 2-methoxyethyl acrylate is reported using an automated parallel synthesizer. Using this robot, up to 16 kinetic reactions could be performed in parallel, resulting in a fast screening of diﬀerent reaction conditions. Several parameters were optimized to determine the optimal reaction conditions with regard to control over the polymerization and reaction rate. These optimal reaction conditions were then used for the one-pot two-step synthesis of diblock copolymers by sequential monomer addition.
Ghent University, Belgium
Advanced Functional Materials Journal
It is demonstrated how cellular uptake and protein corona of (co)polymer-coated gold nanoparticles can be altered by the hydrophilic-to-hydrophobic comonomer ratio. A novel, label-free ﬂow cytometry strategy is developed to investigate particle uptake. These ﬁndings offer insight in the design and analysis of hybrid nanomaterials for interfacing with biological systems.