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Complex Networks and Machine Learning: From Molecular to Social Sciences
(MDPI, 2019-11)
Combining complex networks analysis methods with machine learning (ML) algorithms have become a very useful strategy for the study of complex systems in applied sciences. Noteworthy, the structure and function of such ...
Novel carboxylate-based glycolipids: TLR4 antagonism, MD-2 binding and self-assembly properties
(Nature Publishing, 2019-01-29)
New monosaccharide-based lipid A analogues were rationally designed through MD-2 docking studies. A panel of compounds with two carboxylate groups as phosphates bioisosteres, was synthesized with the same glucosamine-bis-succinyl ...
Glycans in drug discovery
(Royal Soc Chemistry, 2019-07-26)
Glycans are key players in many biological processes. They are essential for protein folding and stability and act as recognition elements in cell-cell and cell-matrix interactions. Thus, being at the heart of medically ...
Unraveling Sugar Binding Modes to DC-SIGN by Employing Fluorinated Carbohydrates
(MDPI, 2019-06-25)
A fluorine nuclear magnetic resonance (F-19-NMR)-based method is employed to assess the binding preferences and interaction details of a library of synthetic fluorinated monosaccharides towards dendritic cell-specific ...
Glycan structures and their interactions with proteins. A NMR view
(Elsevier, 2019-12)
Carbohydrate molecules are essential actors in key biological events, being involved as recognition points for cell-cell and cell-matrix interactions related to health and disease. Despite outstanding advances in cryoEM, ...
Synthetic, Zwitterionic Sp1 Oligosaccharides Adopt a Helical Structure Crucial for Antibody Interaction
(American Chemical Society, 2019-08-28)
The zwitterionic Streptococcus pneumoniae serotype 1 polysaccharide (Sp1) is an important anchor point for our immune system to act against streptococcal infections. Antibodies can recognize Sp1 saccharides, and it has ...
Characterization and Optimization of the Alkaline Hydrolysis of Polyacrylonitrile Membranes
(MDPI, 2019-11-08)
There is currently an increasing interest in the development of polyacrylonitrile (PAN)-based membranes with new and enhanced properties which are of special importance in the processes of pervaporation, purification, and ...
Intramolecular Palladium(II)-catalyzed 6-endo C-H alkenylation directed by the remote N-protecting group. Mechanistic insight and application to the synthesis of dihydroquinolines
(American Chemical Society, 2019-12-30)
A protocol for the Pd(II)-catalyzed C-H alkenylation reaction of substituted N-allylanilines
via an unusual 6-endo process has been developed. A DFT study of the mechanistic pathway has shown
that the coordination of the ...
Carbopalladation/Suzuki Coupling Cascade for the Generation of Quaternary Centers. Access to Pyrrolo[1,2-b]isoquinolines
(American Chemical Society, 2019-07-29)
A convergent route to pyrrolo[1,2-b]isoquinolines with a quaternary center at C-10 has been
developed, that implies a sequential Pd(0)-catalyzed carbopalladation followed by cross-coupling
reaction with boronic acids. ...
Palladium(II)-catalyzed Intramolecular C-H Alkenylation for the Synthesis of Chromanes
(American Chemical Society, 2019-01-14)
The intramolecular Pd(II)-catalyzed alkenylation of aryl homoallyl ethers constitutes a mild,
versatile, and efficient procedure for the synthesis of highly and diversely substituted chromanes, and
2H-chromenes. The use ...