Results 61 to 70 of about 84,757 (292)
Advanced Engineering Materials, EarlyView.Copper‐based composites enhanced with carbon feature convenient mechanical properties and favorable electric conductivity. Processing via deformation and thermomechanical treatments can introduce advantageous microstructures further enhancing their performance. Herein, copper–graphene powder‐based composites are directly consolidated via rotary swaging
Radim Kocich +3 more
wiley +1 more source
Characterization of Low-Barrier Hydrogen Bonds. 5. Microsolvation of Enol−Enolate. An ab Initio and DFT Investigation [PDF]
, 2016 Hartree−Fock, Møller−Plesset, and DFT calculations have been carried out using the 6-31+G(d,p) basis set to study the effect of microsolvation on the strength of a representative low-barrier hydrogen bond.
Yongping Pan (31207) +1 more
core +1 more source
In silico properties, biological activity prediction and Blood Brain Barrier (BBB) permeability prediction Log P (bipartition coefficient) MW (molecular weight); nON, (number of hydrogen bond acceptors); nOHNH (number of hydrogen bond donors); Mt (mutagenicity); Tg, (teratogenicity), T (tumorigenic). [PDF]
, 2022 In silico properties, biological activity prediction and Blood Brain Barrier (BBB) permeability prediction Log P (bipartition coefficient) MW (molecular weight); nON, (number of hydrogen bond acceptors); nOHNH (number of hydrogen bond donors); Mt ...
José Correa-Basurto (472076) +5 more
core +1 more source
Current Status and Challenges in Data Collection for Aerospace Coatings Deposited by Plasma Spraying
Advanced Engineering Materials, EarlyView.An innovative approach has been integrated into the GRENAT project to optimize plasma spraying and coating performance. Raw materials are accelerated and melted in the plasma generated by torches, creating coatings. Monitoring sensors collect process data which are combined with ex situ characterization data.
Lila Randriamananjara +8 more
wiley +1 more source
Anti-malarial activity of a non-piperidine library of next-generation quinoline methanols
Malaria Journal, 2010 Background The clinical utility for mefloquine has been eroded due to its association with adverse neurological effects. Better-tolerated alternatives are required.
Melendez Victor +13 more
doaj +1 more source
Advanced Engineering Materials, EarlyView.Scandium (Sc)‐doped AlCoCrFeMo HEA coatings are fabricated via flame spraying with 0.1, 0.3, and 0.5 wt% Sc additions. Among these, the HEA‐Sc0.3 coating exhibits the highest corrosion resistance, indicated by a more positive corrosion potential and lower current density.
Pankaj Kumar +7 more
wiley +1 more source
Journal of Magnesium and AlloysOptimizing the kinetics and lowering the ab/dehydrogenation temperature of magnesium hydride (MgH2) are crucial for hydrogen storage applications. The synergy among multi-metals (such as Ni, Cr, Fe, Cu, etc.) can reduce the ab/dehydrogenation activation ...
Ziteng Li +6 more
doaj +1 more source
Advanced Engineering Materials, EarlyView.Coarse‐grained (left) and atomistic (right) models of the shape memory polymer ESTANE ETE 75DT3 are shown schematically. The two representations bridge molecular detail and mesoscopic description. Both models capture shape memory behavior, linking segmental mobility and conformational relaxation of anisotropic chains to macroscopic recovery, and ...
Fathollah Varnik
wiley +1 more source
H/D Isotope Effects in Hydrogen Bonded Systems
Molecules, 2013 An extremely strong H/D isotope effect observed in hydrogen bonded A-H…B systems is connected with a reach diversity of the potential shape for the proton/deuteron motion.
Aleksander Filarowski +2 more
doaj +1 more source
Advanced Engineering Materials, EarlyView.This review highlights advances in lightweight, lead‐free polymer nanocomposites for diagnostic X‐ray shielding. By linking filler chemistry, dispersion, architecture, and photon interaction mechanisms, it establishes structure–performance relationships guiding material design.
Aklilu G. Messele +2 more
wiley +1 more source