Results 121 to 130 of about 9,091,506 (300)
Selenium Nanoparticles Selectively Target KRAS G13D to Inhibit Colorectal Cancer
The mechanisms of SeNPs therapy in cancer treatment, encompass three parallel actions: (1) seleno‐amino acids, key metabolites, upregulate GPX2 expression, thereby inhibiting tumor metastasis via the GPX2‐HIF1α‐VEGF signaling pathway; (2) selenite (SeO32−), an inorganic metabolite, forms hydrogen bonds with amino acid residues 13–17 of the KRAS G13D ...
Xiaoting Liu +13 more
wiley +1 more source
Gibbs free energy difference in bulk metallic glass forming alloys
The Gibbs Free Energy Difference between the solid and liquid phases (DG) is related to nucleation frequency and has played an important role in predicting the glass forming ability (GFA) of multicomponent metallic alloys.
Lad, Kirit N. +3 more
core +1 more source
High‐throughput screening led to the identification of 67 Z‐scheme heterojunctions (comprising 2D magnetic transition metal halides and non‐magnetic transition metal chalcogenides). For CrI3/MoTe2 and CrI3/WTe2, electronic structure analysis demonstrated that synergistic crystallographic point group and built‐in electric field effects generate a ...
Hongyang Ren +8 more
wiley +1 more source
Estimating a Stoichiometric Solid's Gibbs Free Energy Model by Means of a Constrained Evolutionary Strategy. [PDF]
Grau Turuelo C, Pinnau S, Breitkopf C.
europepmc +1 more source
A stable Ti3C2Clx/Ti3ZnC2 heterostructure, fabricated by dynamic etching, exhibits outstanding electrocatalytic NRR activity (NH3 yield: 20.1 µg h−1 mg−1, FE: 38.1%) in alkaline media. The corresponding Zn‐N2 battery achieves a peak power density of 36.5 µW cm−2 and an NH3 yield of 13.1 µg h−1 mg−1, providing an advanced strategy for NH3 and ...
Yu Wang +9 more
wiley +1 more source
Integrating interpretable machine learning with the fixed‐potential method reveals a novel mechanism: the catalytic activity of the electrochemical nitrogen reduction reaction is governed by partial charge transfer, induced by variations in the intermediate potential of zero charge under constant potential.
Yufei Xue +6 more
wiley +1 more source
Harnessing Phase Separation for the Development of High‐Performance Hydrogels
ABSTRACT Hydrogels are indispensable for the development of next‐generation bioelectronics, soft robotics, and biomedical devices, where their mechanical properties determine performance and reliability. Among strategies to enhance hydrogel mechanics, phase separation enables controlled heterogeneity resulting in gel networks that are reinforced by ...
Yue Shao +3 more
wiley +1 more source
We consider various versions of adaptive Gibbs and Metropolis- within-Gibbs samplers, which update their selection probabilities (and perhaps also their proposal distributions) on the fly during a run, by learning as they go in an attempt to optimise
Rosenthal, Jeffrey S. (Jeffrey Seth) +1 more
core
Constrained Gibbs energy minimisation
Computation of chemical equilibria and phase diagrams for multi-phase and non-ideal systems by the material-balance constrained Gibbs free energy minimisation is a modern application of the thermodynamic theory with increasing practical uses. However, in
Hack, K. +5 more
core +1 more source
Calculation of the Vapour Pressure of Organic Molecules by Means of a Group-Additivity Method and Their Resultant Gibbs Free Energy and Entropy of Vaporization at 298.15 K. [PDF]
Naef R, Acree WE.
europepmc +1 more source

