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IBM shows how AI creates new molecules at the shore of Zurich lake with integrated live stream to a Chemspeed FLEX AUTOPLANT

 

May 31, 2021

ACS Medicinal Chemistry Letters

Since the 1990s, concerted attempts have been made to improve the efficiency of medicinal chemistry synthesis tasks using automation. Although impacts have been seen in some tasks, such as small array synthesis and reaction optimization, many synthesis tasks in medicinal chemistry are still manual. 

May 10, 2021

Angewandte Chemie Journal

A dynamic structural behavior of Pt nanoparticles on the ceria surface under reducing/oxidizing conditions was found at moderate temperatures (<500 °C) and exploited to enhance the catalytic activity of Pt/CeO2-based exhaust gas catalysts.

April 12, 2021

Topics in Catalysis Journal

The poisoning of Pd-Pt/Al2O3 and Pd-Pt/CeO2-ZrO2-Y2O3-La2O3 methane oxidation catalysts by SO2 was studied under conditions typical for lean burn gas engines. Regeneration of sulfur-poisoned catalysts was achieved by applying rich conditions at 500 and 550 °C. 

April 5, 2021

Journal of the American Chemical Society

The use of Metal-Organic Frameworks as crystalline matrices for the synthesis of multiple component or multivariate solids by the combination of different linkers into a single material has emerged as a versatile route to tailor the properties of single-component phases or even access new functions. 

March 26, 2021

Polymers Journal

The automated dialysis of polymers in synthetic robots is described as a first approach for the purification of polymers using an automated protocol. For this purpose, a dialysis apparatus was installed within a synthesis robot. Therein, the polymer solution could be transferred automatically into the dialysis tube. Afterwards, a permanent running dialysis could be started, enabling the removal of residual monomer. Purification efficiency was studied using chromatography and NMR spectroscopy, showing that the automated dialysis requires less solvent and is faster compared to the classical manual approach.

March 15, 2021

Journal of Drug Delivery Science and Technology

The use of poly (vinyl alcohol) (PVA) and a PVA-sodium dodecyl sulfate mixture (PVA-SDS) for the colloidal stabilization of poly (DL-lactide) (PDLLA) and poly (DL-lactide-co-glycolide) (PLGA) nanoparticles (NPs) loaded with paclitaxel (PTX) was investigated. During the preparation of PDLLA and PLGA NPs via a single emulsion method, electrosteric-like stabilization imparted by the PVA-SDS led to the formation of smaller average particle diameter (Dp) than using only PVA which provided steric stabilization. It was found that, with the polymer composition of the NPs, the release profile can be tuned also, depending on whether PVA-SDS or PVA alone was used as stabilizer. The mechanism of the NP degradation and PTX release was studied as a function of time. The results obtained during 28 days were discussed in detail based on the evolutions of Dp, polymer molecular weight and its polydispersity index including the role of the electrosteric-like and steric stabilizers on the phenomenology involved.

March 1, 2021

European Polymer Journal

Pentafluorophenyl methacrylate (PFPMA) and pentafluorophenyl acrylate (PFPA) are frequently used monomers to produce advanced materials for biomedical applications via (co)polymerization reactions. This contribution reports kinetic investigations of the reversible addition fragmentation chain transfer (RAFT) copolymerization of PFPMA and methyl methacrylate (MMA) mediated by a dithiobenzoate chain transfer agent (CTA) at 70 °C in dimethyl formamide (DMF). Control with respect to the molar mass of the copolymers was observed for initial PFPMA monomer feeds ≤40 mol%. The rate of PFPMA incorporation decreased with increasing initial PFPMA feed ratios. Reactivity ratios were estimated with a nonlinear regression that utilizes a visualization of the sum of squares space method (rPFPMA = 1.06 and rMMA = 0.44). The slight preference for MMA-type radicals to add PFPMA monomers increased the rate of consumption of PFPMA especially in low initial PFPMA monomer feeds. In addition, kinetic investigations of the RAFT homopolymerization of PFPA revealed an induction period and poor control on the polymer molar mass in the polar solvents acetonitrile and DMF using a dithiobenzoate CTA. A better control using the same CTA was observed in 1,4-dioxane. Polymerizations carried out in the presence of a trithiocarbonate CTA were less affected by the solvent polarity and a good control on the polymer molar mass was achieved in acetonitrile and 1,4-dioxane even at high monomer conversion (>95%, dispersity value (Ð) ≤ 1.19).

February 24, 2021

The Collaborative Research Centre PolyTarget is developing polymer-based, nanoparticulate carrier materials for the targeted application of active pharmaceutical ingredients. In the foreground are systems that are suitable for the treatment of diseases and syndromes whose morbidity is significantly characterized by an inflammatory reaction. The collaborative research centre PolyTarget is funded by the German Research Foundation (DFG). Spokesman is Prof. Dr. Ulrich S. Schubert.

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Der Sonderforschungsbereich (SFB) PolyTarget // The Collaborative Research Centre PolyTarget

February 16, 2021

ChemPlusChem Journal

The assembly of complex molecules, such as organic cages, can be achieved through supramolecular and dynamic covalent strategies. Their use in a range of applications has been demonstrated, including gas uptake, molecular separations, and in catalysis. However, the targeted design and synthesis of new species for particular applications is challenging, particularly as the systems become more complex. High-throughput computation-only and experiment-only approaches have been developed to streamline the discovery process, although are still not widely implemented. Additionally, combined hybrid workflows can dramatically accelerate the discovery process and lead to the serendipitous discovery and rationalisation of new supramolecular assemblies that would not have been designed based on intuition alone. This Minireview focuses on the advances in high-throughput approaches that have been developed and applied in the discovery of supramolecular organic cages. 

February 1, 2021