The ring opening and oligomerisation reactions of an epoxide and an episulfide on aluminosilicates in the liquid phase

Data-efficient learning in continuous state-action spaces using very high-dimensional observations remains a key challenge in developing fully autonomous systems. In this paper, we consider one instance of this challenge, the pixels to torques problem, where an agent must learn a closed-loop control policy from pixel information only. We introduce a data-efficient, model-based reinforcement learning algorithm that learns such a closed-loop policy directly from pixel information. The key ingredient is a deep dynamical model that uses deep auto-encoders to learn a low-dimensional embedding of images jointly with a predictive model in this low-dimensional feature space. Joint learning ensures that not only static but also dynamic properties of the data are accounted for. This is crucial for long-term predictions, which lie at the core of the adaptive model predictive control strategy that we use for closed-loop control. Compared to state-of-the-art reinforcement learning methods for continuous states and actions, our approach learns quickly, scales to high-dimensional state spaces and is an important step toward fully autonomous learning from pixels to torques.COOPLO

HPLC enrichment/isolation of proteins for post-translational modification studies from complex mixtures

The paper describes a macroporous RP-HPLC method for separation and isolation/enrichment of proteins from complex mixtures. The method is robust and efficient; using 2.1 or 4.6 mm diameter columns provides sufficient material for subsequent proteomic analysis. The main advantage of the method is that most protein variants are isolated in the same fraction, as separation is not based on differences in isoelectric point. This is highly advantageous for studying complex mixtures and post-translational modifications. Examples related to glycosylation analysis are discussed in detail

Synthesis of Novel Ferrocene-Benzofuran Hybrids via Palladium- and Copper-Catalyzed Reactions

The combination of the ferrocene skeleton with pharmacophores often leads to molecules with interesting biological properties. Five ferrocene-benzofuran hybrids of different structures were synthesized by transition metal catalyzed reactions. The efficiency of both homogeneous and heterogeneous catalytic methods was tested. The products were characterized using 1H, 13C NMR and FTIR spectroscopy, HRMS and cyclic voltammetry. The structure of one of the new compounds was also proved with X-ray crystallography. The new hybrids showed moderate cytotoxicity on MCF-7 and MDA-MB-231 cell lines. It is remarkable that the less curable MDA-MB-231 cell line was more sensitive to treatment with three ferrocene derivatives

Mapping the tandem mass spectrometric characteristics of citrulline containing peptides

RATIONALE Protein citrullination (deimination) is a post-translational modification of proteins converting arginine(s) to citrulline(s). “Overcitrullination” could be associated with severe pathological conditions. Mass spectrometric analysis of modified proteins is hindered by several problems. A comprehensive study of fragmentation of deiminated peptides is not yet available. In this paper we have made an attempt to describe the characteristics of these processes, based on the studies of epitope model oligopeptides derived from clinically relevant proteins. METHODS Solution of purified model peptides containing either one or two citrulline residues as well as their native variants were injected directly to the electrospray source of a high accuracy and resolution quadrupole-time of flight instrument and were analysed by tandem mass spectrometry using low-energy collision induced dissociation. RESULTS Loss of isocyanic acid from citrulline residues is a preferred fragmentation route for deiminated peptides, which yields ornithine residues in the sequence. However, simultaneous detection of both the isocyanic acid loss and sequence fragments is often compromised. A preferential cleavage site was observed between citrulline and any other following amino acids yielding intensive complementary b and y type ions. Also, citrulline positioned at the C-termini displays a preferential cleavage N-terminal to this residue yielding characteristic y1 ions. These phenomena are described here for the first time and are referred to as the “citrulline effect”. CONCLUSIONS We found that the citrulline effect is very pronounced and could be used as a complementary tool for the confirmation of modification sites in addition to losses of isocyanic acids from the protonated molecules or from fragment ions. Low collision energy applied to peptide ions having partially mobile protons reveal the site of modification by generating specific and intensive fragments of the sequence. On the other hand, fragmenting parent ions with mobile protons usually allow full sequence coverage, although citrulline-specific fragments may exhibit lower intensities compared to other fragments