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Molecules Journal

Due to the lack of approved vaccines against human leishmaniasis and the limitations of the current chemotherapy inducing side effects and drug resistance, development of new, effective chemotherapeutic agents is essential. This study describes the synthesis of a series of novel oxadiazoles and indolizine-containing compounds. The compounds were screened in silico using an EIIP/AQVN filter followed by ligand-based virtual screening and molecular docking to parasite arginase. Top hits were further screened versus human arginase and finally against an anti-target battery to tag their possible interactions with proteins essential for the metabolism and clearance of many substances. Eight candidate compounds were selected for further experimental testing. The results show measurable in vitro anti-leishmanial activity for three compounds. One compound with an IC50 value of 2.18 µM on Leishmania donovani intramacrophage amastigotes is clearly better positioned than the others as an interesting molecular template for further development of new anti-leishmanial agents. 

June 6, 2019
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The Royal Society of Chemistry Journal

Automated kinetic profiling is a valuable tool for providing insights into key mechanistic features of complex catalytic systems. In an attempt to optimize a palladium-catalyzed Suzuki cross-coupling reaction, automated kinetic profiling was utilized with offline liquid chromatography to monitor reaction progress. Upon uncovering analytical sample instability issues, an online HPLC capability was developed and implemented through integration of a Chemspeed liquid handling robot with an Agilent HPLC to facilitate automated reaction set-up and monitoring. Application of this capability resulted in the observation that precatalyst activation was a key factor influencing the reaction rate. Leveraging this mechanistic insight, a more efficient method to access the active catalyst was developed. This change resulted in a five-fold increase in the reaction rate.

May 6, 2019
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Angewandte Chemie Journal

Technologies that enable rapid screening of diverse reaction conditions are of critical importance to methodology development and reaction optimization especially when molecules of high complexity and scarcity are involved. The lack of a general solid dispensing method for chemical reagents on micro- and nanomole scale prevents the full utilization of reaction screening technologies. We herein report the development of a technology in which glass beads coated with solid chemical reagents (ChemBeads) enable the delivery of nanomole quantities of solid chemical reagents efficiently. By exploring the concept of preferred screening sets, the flexibility and generality of this technology for high throughput reaction screening was validated.

May 1, 2019
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University of Georgia

Nature Chemistry Journal

An automated platform that can synthesize a wide range of complex carbohydrates will greatly increase their accessibility and should facilitate progress in glycoscience. Here we report a fully automated process for enzyme-mediated oligosaccharide syn-thesis that can give easy access to different classes of complex glycans including poly-N-acetyllactosamine derivatives, human milk oligosaccharides, gangliosides and N-glycans. Our automated platform uses a catch and release approach in which glycos-yltransferase-catalysed reactions are performed in solution and product purification is accomplished by solid phase extraction. We developed a sulfonate tag that can easily be installed and enables highly efficient solid phase extraction and product release using a single set of washing conditions, regardless of the complexity of the glycan. Using this custom-built synthesizer, as many as 15 reaction cycles can be performed in an automated fashion without a need for lyophilization or buffer exchange steps.

April 1, 2019
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Macromolecules Journal

Combinatorial and high throughput (HTP) methodologies have long been used by the pharmaceutical industry to accelerate the rate of drug discovery. HTP techniques can also be applied in polymer chemistry to more efficiently elucidate structure–property relationships, to increase the speed of new material development, and to rapidly optimize polymerization conditions. Controlled living/radical polymerization (CLRP) is widely employed in the preparation of potential materials for bioapplications being suitable for a large variety of polymeric materials with various architectures. The versatility of CLRP makes it an ideal candidate for combinatorial and HTP approaches to research, and recently, the development of oxygen tolerant CLRP techniques has greatly simplified the methodology. In this Perspective, we provide an overview of conventional CLRP, including automated parallel synthesizers, as well as oxygen tolerant CLRP applications for HTP polymer research.

March 1, 2019
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Laboratory of Molecular Simulation (LSMO), Institut des Sciences et Ingénierie Chimiques, Valais, École Polytechnique Fédérale de Lausanne (EPFL)

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.

February 7, 2019
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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.

January 31, 2019
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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 …

December 6, 2018
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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.”

 

November 5, 2018
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October 2018

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.

 

October 3, 2018