Machine Learning for Green Solvents: Assessment, Selection and Substitution
Environmental regulations have intensified demand for green solvents, but discovery is limited by Solvent Selection Guides (SSGs) that quantify solvent sustainability. Training a machine learning model on GlaxoSmithKline SSG, a database of sustainability metrics for 10,189 solvents, GreenSolventDB is developed. Integrated with Hansen solubility metrics,
Rohan Datta +4 more
wiley +1 more source
An equivalent perfectly plastic model for estimating squeezing deformations in tunnelling through strain-softening ground. [PDF]
Anthi M, Anagnostou G.
europepmc +1 more source
This study combines full‐field tomography with diffraction mapping to quantify radial (ε002$\varepsilon _{002}$) and axial (ε100$\varepsilon _{100}$) lattice strain in wrinkled carbon‐fiber specimens for the first time. Radial microstrain gradients (−14.5 µεMPa$\varepsilon \mathrm{MPa}$−1) are found to signal damage‐prone zones ahead of failure, which ...
Hoang Minh Luong +7 more
wiley +1 more source
Scotty: lattice coincidences for macromolecular crystallographic phasing. [PDF]
McCoy AJ +3 more
europepmc +1 more source
Neural Fields for Highly Accelerated 2D Cine Phase Contrast MRI
ABSTRACT 2D cine phase contrast (CPC) MRI provides quantitative information on blood velocity and flow within the human vasculature. However, data acquisition is time‐consuming, motivating the reconstruction of the velocity field from undersampled measurements to reduce scan times. In this work, neural fields are proposed as a continuous spatiotemporal
Pablo Arratia +7 more
wiley +1 more source
Uncertainty Quantification of Finite Element Strain Predictions for a Nitinol Medical Device: Influence of Input Parameter Probability Distribution on Output Uncertainty. [PDF]
Carr IA +5 more
europepmc +1 more source
Fluorescent BODIPY‐conjugated thiosemicarbazone ligands and their Ga(III), In(III), and Fe(III) complexes, inspired by Triapine, are developed as theranostic agents. Multiphoton FLIM and confocal microscopy in cancer cells and zebrafish reveal real‐time uptake, mitochondrial localisation, and whilst spectroscopic assays indicated preserved complex ...
Megan J. Green +15 more
wiley +1 more source
Molecular Dynamics Study of Supramolecular Complexes to the Carbohydrate-Cation System. [PDF]
Kafi DK, Mohi AT.
europepmc +1 more source
Phase Diagrams and Piezoelectric Properties of Wurtzite Al1−x−yScxGdyN Heterostructural Alloys
This study demonstrates ferroelectricity and piezoelectric properties improvement of quaternary wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films, guided by density functional theory calculations. Wurtzite Al1−x−yScxGdyN${\rm Al}_{1-x-y}{\rm Sc}_x{\rm Gd}_y{\rm N}$ films have a high optical bandgap, enhanced piezoelectric ...
Julia L. Martin +11 more
wiley +1 more source
Asymptotic Normality and Convergence Rates for Tsallis Entropy Estimators via Stabilization Techniques. [PDF]
Çadırcı MS, Singull M.
europepmc +1 more source

