Results 31 to 40 of about 27,825 (256)

Thermodynamic Database for Mg Alloys—Progress in Multicomponent Modeling

open access: yesMetals, 2012
Progress in systematic development of a thermodynamic database for Mg alloys with 21 components is reported. Models for multicomponent alloys are built in a methodical approach from quantitative descriptions of unary, binary and ternary subsystems. For a
Joachim Gröbner, Rainer Schmid-Fetzer
doaj   +1 more source

Development of fission product chemistry database ECUME for the LWR severe accident

open access: yesMechanical Engineering Journal, 2020
We extended the first version of fission product (FP) chemistry database named ECUME (Effective Chemistry database of fission products Under Multiphase rEaction).
Shuhei MIWA   +12 more
doaj   +1 more source

PINT: Protein-protein Interactions Thermodynamic Database

open access: yesNucleic Acids Research, 2006
The first release of Protein-protein Interactions Thermodynamic Database (PINT) contains >1500 data of several thermodynamic parameters along with sequence and structural information, experimental conditions and literature information. Each entry contains numerical data for the free energy change, dissociation constant, association constant, enthalpy ...
M. D. Shaji Kumar, M. Michael Gromiha
openaire   +2 more sources

Reconstructing enzyme evolution by protein engineering

open access: yesFEBS Letters, EarlyView.
Natural enzyme evolution can be retraced by protein engineering methods such as directed evolution, rational design, and ancestral sequence reconstruction. These approaches reveal how enzymes emerged from ligand‐binding scaffolds, developed varying substrate preferences, formed oligomeric complexes, adapted to environmental changes, and evolved novel ...
Lukas Drexler   +2 more
wiley   +1 more source

Thermodynamically Informed Nuclear Fuel Codes—A Review and Perspectives

open access: yesThermo, 2021
A number of codes are used to predict various aspects of nuclear fuel performance and safety, ranging from conventional fuel performance codes to simulate normal operating conditions to integral engineering codes to simulate severe accident behaviour ...
Markus H. A. Piro
doaj   +1 more source

Molecular dynamics simulations of positively selected codons in FcγRI reveal novel biochemical binding properties

open access: yesFEBS Open Bio, EarlyView.
Evolutionary analysis across 32 placental mammals identified positive selection at residues H148 and W149 in the immune receptor FcγR1. Ancestral reconstruction combined with molecular dynamics simulations reveals how these mutations may influence receptor structure and dynamics, providing insight into the evolution of antibody recognition and immune ...
David A. Young   +7 more
wiley   +1 more source

Molecular characterization of covRS mutations in M1UK Streptococcus pyogenes

open access: yesFEBS 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

Thermodynamic Modeling of Hydrogen Storage Capacity in Mg-Na Alloys

open access: yesThe Scientific World Journal, 2014
Thermodynamic modeling of the H-Mg-Na system is performed for the first time in this work in order to understand the phase relationships in this system.
S. Abdessameud   +2 more
doaj   +1 more source

Mechanochemical Synthesis and Characterization of Nanostructured ErB4 and NdB4 Rare‐Earth Tetraborides

open access: yesAdvanced 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

Development of a CALPHAD Thermodynamic Database for Pu-U-Fe-Ga Alloys

open access: yesApplied Sciences, 2019
The interaction of actinides and actinide alloys such as the δ-stabilized Pu-Ga alloy with iron is of interest to understand the impurity effects on phase stability.
Emily E. Moore   +7 more
doaj   +1 more source

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