Magnetic Resonance Signal Amplification by Reversible Exchange of Selective PyFALGEA Oligopeptide Ligands Towards Epidermal Growth Factor Receptors

The biorelevant PyFALGEA oligopeptide ligand, which is selective towards the epidermal growth factor receptor (EGFR), has been successfully employed as a substrate in magnetic resonance signal amplification by reversible exchange (SABRE) experiments. It is demonstrated that PyFALGEA and the iridium catalyst IMes form a PyFALGEA:IMes molecular complex. The interaction between PyFALGEA:IMes and H₂ results in a ternary SABRE complex. Selective 1D EXSY experiments reveal that this complex is labile, which is an essential condition for successful hyperpolarization by SABRE. Polarization transfer from parahydrogen to PyFALGEA is observed leading to significant enhancement of the ¹H NMR signals of PyFALGEA. Different iridium catalysts and peptides are inspected to discuss the influence of their molecular structures on the efficiency of hyperpolarization. It is observed that PyFALGEA oligopeptide hyperpolarization is more efficient when an iridium catalyst with a sterically less demanding NHC ligand system such as IMesBn is employed. Experiments with shorter analogues of PyFALGEA, that is, PyLGEA and PyEA, show that the bulky phenylalanine from the PyFALGEA oligopeptide causes steric hindrance in the SABRE complex, which hampers hyperpolarization with IMes. Finally, a single-scan ¹H NMR SABRE experiment of PyFALGEA with IMesBn revealed a unique pattern of NMR lines in the hydride region, which can be treated as a fingerprint of this important oligopeptide.     

Steels for Bridge Structures

Metallurgist - We consider domestic and foreign standards for rolled metals used in bridge building. Domestic standards contain elevated requirements to the reliability of rolled metals in terms of...     

Stress distribution in thick-walled cylinder due to non-uniform radial pressure on the example of reinforcement corrosion in concrete

This paper presents an analytical solution to the non-uniform pressure on thick-walled cylinder. The formulation is based on the linear elasticity theory (plain strain) and stress function method. As an example, the proposed solution is used to model the stress distribution due to non-uniform steel reinforcement corrosion in concrete. The model is formulated considering different scenarios of corrosion pressure distribution. It is validated against the finite element model for different cases of non-uniform pressure distributions. The results show that the corrosion-induced cracks are likely to start just beyond the anodic zone. This is confirmed by the experimental tests on concrete cylinder exposed to non-uniform accelerated corrosion of steel reinforcement. The model can be effectively used to calculate the distribution of corrosion-induced stresses in concrete.     

Energy Efficiency Trade-Off Between Duty-Cycling and Wake-Up Radio Techniques in IoT Networks

Wireless Personal Communications - For robust monitoring, control and proper energy management of renewable energy sources (RES), wireless sensing networks (WSNs) are proved to be a vital solution....     

Activity-Directed Synthesis: A Flexible Approach for Lead Generation

Activity-directed synthesis (ADS) is a structure-blind, functional-driven molecular discovery approach. In this Concept, four case studies highlight the general applicability of ADS and showcase its flexibility to support different medicinal chemistry strategies. ADS deliberately harnesses reactions with multiple possible outcomes, and allows many chemotypes to be evaluated in parallel. Resources are focused on bioactive molecules, which emerge in tandem with associated synthetic routes. Some of the future challenges for ADS are highlighted, including the realisation of an autonomous molecular discovery platform. The prospects for ADS to become a mainstream lead generation approach are discussed.     

Technology combats disabilities

The author focusses on advances in equipment that offset physically functional limitations. He discusses how disabled and elderly people are using aids that enhance mobility (walking a certain distance, lifting a weight, or climbing stairs) as well as sensory faculties (seeing print, hearing conversation, and speaking intelligibly)     

Structure and composition of guanidine acrylate, guanidine methacrylate, their homopolymers, and copolymers with diallyldimethylammonium chloride

Structures and compositions of the monomers guanidine acrylate and guanidine methacrylate, their homopolymers, and copolymers with diallyldimethylammonium chloride enriched in acrylate comonomer units were determined. It was shown that ampholytic copolymers, owing to their ionic nature, contained comonomeric guanidine acrylate or methacrylate units and diallyldimethylammonium chloride units, as well as the acrylate comonomer with the diallyl counterion and polymeric acrylate and diallyl ion pairs. It follows from IR and ¹H NMR data that guanidine methacrylate has the same structure (with two hydrogen bonds) in the solid state and in solutions. Guanidine acrylate structures in the solid state and in dimethylsulfoxide are identical and analogous to guanidine methacrylate structure in this solvent. In water, the guanidine acrylate structure has another type of hydrogen bonding (with one hydrogen bond, where the proton is shifted toward the guanidine group). These features of hydrogen bonding of guanidine acrylate and guanidine methacrylate are also retained in their homopolymers and copolymers with diallyldimethylammonium chloride. It was shown that the thermal stability of the copolymers was higher than that of their homopolymers, confirming the formation of intramolecular ion pairs of oppositely charged units of ampholytic copolymers. Moreover, the thermal stability of guanidine methacrylate-diallyldimethylammonium chloride copolymers is higher than that of guanidine acrylate-diallyldimethylammonium chloride copolymers.     

Review on the fracture processes in nanocrystalline materials

An overview of experimental study, computer simulations and theoretical models of fracture of nanocrystalline materials is presented. The key experimentally detected facts on ductile and brittle fracture processes are discussed. Special attention is paid to computer simulations and theoretical models of nucleation and growth of nanocracks and nanopores in deformed nanocrystalline materials. Also, we discuss mechanisms for fracture suppression in such materials showing good ductility or superplasticity.