Results 61 to 70 of about 2,575,718 (291)
Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes
FEBS Open Bio, EarlyView.Group A Streptococcus (GAS) acquires covRS mutations driving a hypervirulent bacterial state, frequently associated with invasive disease‐like necrotizing fasciitis. We demonstrate that the newly emerged M1UK GAS lineage can also acquire these mutations.
Jarrad Pritchard +12 more
wiley +1 more source
Advanced Engineering Materials, Volume 27, Issue 6, March 2025.ErB4 and NdB4 nanostructured powders are produced by mechanochemical synthesis. 5 h mechanical alloying and 4 M HCl acid leaching are used in the production. ErB4 and NdB4 powders exhibit maximum magnetization of 0.4726 emu g−1 accompanied with an antiferromagnetic‐to‐paramagnetic phase transition at about TN = 18 K and 0.132 emu g−1 with a maximum at ...
Burçak Boztemur +5 more
wiley +1 more source
Advanced Engineering Materials, EarlyView.This study presents a reversible temperature sensor with high switching ratio, ∼103. The device is fabricated using PET‐ITO and carbon nanotube dispersions in alkane. Considering its application in cold chain logistics, a proof‐of‐concept with LED is showcased. Thus, a temperature drop below the threshold temperature (crystallization temperature of the
Sunil Kumar Behera +8 more
wiley +1 more source
SPACETIME OR QUANTUM PARTICLES: THE ONTOLOGY OF QUANTUM GRAVITY? [PDF]
, 1996 The domains of quantum theory and general relativity overlap in situations where quantum mechanical effects cannot be ignored. In order to deal with this overlap of theoretical domains, there has been a tendency to apply the rules of quantum field theory
Peter J. Riggs +2 more
core +1 more source
Quantum Chemistry Calculations on a Trapped-Ion Quantum Simulator [PDF]
Physical Review X, 2018 Quantum-classical hybrid algorithms are emerging as promising candidates for near-term practical applications of quantum information processors in a wide variety of fields ranging from chemistry to physics and materials science.
Cornelius Hempel +12 more
semanticscholar +1 more source
Influence of an Argon/Silane Atmosphere on the Temperature of a Thermal Plasma
Advanced Engineering Materials, EarlyView.The influence of a silane‐doped argon atmosphere on the chemical composition and temperature of a thermal nontransferring argon plasma is investigated using optical emission spectroscopy. As a result of the high amount of free electrons resulting from the stepwise ionization and dissociation of the silane molecule, even a silane addition of 0.01 vol ...
Lena Kreie +4 more
wiley +1 more source
Δ-Quantum machine learning for medicinal chemistry
, 2021 Many molecular design tasks benefit from fast and accurate calculations of quantum-mechanical (QM) properties. However, the computational cost of QM methods applied to drug-like molecules currently renders large-scale applications of quantum chemistry ...
Gisbert, Schneider +4 more
core +1 more source
Advanced Engineering Materials, EarlyView.This paper presents a novel approach to reducing oxide layers on metal powders using low‐temperature hydrogen dielectric barrier discharge plasmas at atmospheric pressure. Unlike conventional hydrogen‐plasma reductions, the powders do not contact the plasma directly.
Shukang Zhang +3 more
wiley +1 more source
QupKake: Integrating Machine Learning and Quantum Chemistry for micro-pKa Predictions
, 2023 Accurate prediction of micro-pKa values is crucial for understanding and modulating the acidity and basicity of organic molecules, with applications in drug discovery, materials science, and environmental chemistry.
Omri, Abarbanel, Geoffrey, Hutchison
core +1 more source
Modern quantum chemistry with [Open]Molcas.
Journal of Chemical Physics, 2020 MOLCAS/OpenMolcas is an ab initio electronic structure program providing a large set of computational methods from Hartree-Fock and density functional theory to various implementations of multiconfigurational theory. This article provides a comprehensive
F. Aquilante +38 more
semanticscholar +1 more source