Results 31 to 40 of about 24,629,978 (309)

ProThermDB: thermodynamic database for proteins and mutants revisited after 15 years

Nucleic Acids Res., 2020
ProThermDB is an updated version of the thermodynamic database for proteins and mutants (ProTherm), which has ∼31 500 data on protein stability, an increase of 84% from the previous version.
R. Nikam, A. Kulandaisamy, K. Harini, Divya Sharma, M. M. Gromiha   +4 more
semanticscholar   +1 more source

Structural insights into an engineered feruloyl esterase with improved MHET degrading properties

FEBS Letters, EarlyView.
A feruloyl esterase was engineered to mimic key features of MHETase, enhancing the degradation of PET oligomers. Structural and computational analysis reveal how a point mutation stabilizes the active site and reshapes the binding cleft, expading substrate scope.
Panagiota Karampa, Konstantinos Makryniotis, Theofani‐Iosifina Sousani, Evangelos Topakas, Vangelis Daskalakis, Maria Dimarogona   +5 more
wiley   +1 more source

First-principles thermodynamic modeling for the Al-Nb-Ni ternary system

Science and Technology of Advanced Materials: Methods
In CALPHAD methodology, used for thermodynamic database construction, the first-principles calculations based on the density functional theory have increasingly become important tool to provide an input data for assessing the thermodynamic database.
Arkapol Saengdeejing, Ryoji Sahara, Yoshiaki Toda   +2 more
doaj   +1 more source

Ruthenium redox equilibria: 1. Thermodynamic stability of Ru(III) and Ru(IV) hydroxides

Journal of Electrochemical Science and Engineering, 2016
On the basis of the selected thermodynamic data for Ru(III) and Ru(IV) compounds in addition to original thermodynamic and graphical approach used in this paper, the thermodynamic stability areas of sparingly soluble hydroxides as well as the repartition
Igor Povar, Oxana Spinu
doaj   +1 more source

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

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, Faruk Kaya, Bora Derin, Mustafa Lütfi Öveçoğlu, Ju Li, Duygu Ağaoğulları   +5 more
wiley   +1 more source

Thermodynamic assessment of the Mg-Pb and Mg-Bi systems using substitutional solution and associate models for the liquid phase [PDF]

Journal of Mining and Metallurgy. Section B: Metallurgy, 2014
By means of CALPHAD approach, thermodynamic assessments of the Mg-Pb and Mg-Bi systems were carried out based on the available experimental data including thermodynamic properties and phase equilibrium data.
Zhang F., Tang Y., Hu B., Liu S., Du Y., Zhang Y.   +5 more
doaj   +1 more source

Revisiting Stability Criteria in Ball‐Milled High‐Entropy Alloys: Do Hume–Rothery and Thermodynamic Rules Equally Apply?

Advanced Engineering Materials, Volume 27, Issue 6, March 2025.
The stability criteria affecting the formation of high‐entropy alloys, particularly focusing in supersaturated solid solutions produced by mechanical alloying, are analyzed. Criteria based on Hume–Rothery rules are distinguished from those derived from thermodynamic relations. The formers are generally applicable to mechanically alloyed samples.
Javier S. Blázquez, Alejandro F. Manchón‐Gordón, Antonio Vidal‐Crespo, Rafael Caballero‐Flores, Jhon J. Ipus, Clara F. Conde   +5 more
wiley   +1 more source

Analytic Approach to Alloys Thermodynamics: Ternary Cu-Ga-Ni system [PDF]

Materials Research, 2016
In this paper are presented the results of the calculation of thermodynamic properties in liquid state for ternary Cu-Ga-Ni alloys using the newest version of general solution model.
Lidija Gomidželović, Ana Kostov, Dragana Živković, Vesna Krstić   +3 more
doaj   +1 more source

Thermodynamic Modeling of the Ag-Cu-Sn Ternary System

Metals, 2022
In this work, combined with previous assessments of the Ag-Cu, Ag-Sn and Cu-Sn binary systems, thermodynamic modeling of the Ag-Cu-Sn ternary system was performed using the CALPHAD method using the reported phase diagram data and thermodynamic data.
Qingsong Tong, Jing Ge, Maohua Rong, Jielong Li, Jian Jiao, Lu Zhang, Jiang Wang   +6 more
doaj   +1 more source

Recent Progress in Oxide‐Based Na‐Ion Conductors

Advanced Engineering Materials, EarlyView.
Recent advances in oxide‐based sodium‐ion conductors are reviewed, focusing on β/β″‐alumina, NASICON‐type compounds, and Na5YSi4O12‐type (N5) silicates, together with emerging perovskite and layered oxides. Improvements in ionic conductivity, compositional tuning, and processing are highlighted.
Bowei Xun, Jian Wang, Hubertus Rainaldo Arindra, Katsuro Hayashi   +3 more
wiley   +1 more source