Results 201 to 210 of about 1,266,076 (246)

Uncertainty Quantification in Molecular Machine Learning for Property Predictions under Data Shifts. [PDF]

J Chem Inf Model
Parrondo-Pizarro R, Lanini J, Rodríguez-Pérez R.   +2 more
europepmc   +1 more source

Towards Defect Phase Diagrams: From Research Data Management to Automated Workflows

Advanced Engineering Materials, EarlyView.
A research data management infrastructure is presented for the systematic integration of heterogeneous experimental and simulation data required for defect phase diagrams. The approach combines openBIS with a companion application for large‐object storage, automated metadata extraction, provenance tracking and federated data access, thereby supporting ...
Khalil Rejiba, Sang‐Hyeok Lee, Christina Gasper, Martina Freund, Sandra Korte‐Kerzel, Ulrich Kerzel   +5 more
wiley   +1 more source

Effects of pH and Temperature on the Structure and Function of Pea Albumin. [PDF]

Molecules
Li X, Ji G, Chen B, Li W, Li X, Liu J, Mu Z, Wang Z, Liu H.   +8 more
europepmc   +1 more source

Interaction of Ladle Slag With Varying SiO2 Content and Recyclate‐Based MgO–C Refractories

Advanced Engineering Materials, EarlyView.
Ladle slags (CaO/Al2O3 = 1) with 1–20 wt% SiO2 were investigated in contact with industrial MgO–C refractories fabricated from fresh magnesia and 50 wt% recyclate. The sessile drop method at 1600°C reveals intensive gas formation, delayed slag infiltration in recyclate‐based samples, and, under high‐SiO2 slag, formation of a dense MgAl2O4‐rich ...
Anton Yehorov, Eldar Salpagarov, Anhelina Mospan, Till Manon Jannis Stadtmüller, Thomas Schemmel, Christos Georgios Aneziris, Olena Volkova   +6 more
wiley   +1 more source

Tunable Charge Transport Properties Through Precise π-Stacking Modulation in Isostructural Porous Molecular Conductors. [PDF]

Angew Chem Int Ed Engl
Qu L, Iguchi H, Ueno K, Takaishi S, Yamashita M, Leong CF, D'Alessandro DM, Tsumuraya T, Matsuda W, Seki S, Matsuda R.   +10 more
europepmc   +1 more source

Impact of Sustainable Binders Based on Lignin and Collagen on the Volume Stability and Mechanical Properties of MgO‐C Refractories with MgO‐C Recyclates

Advanced Engineering Materials, EarlyView.
Collagen hydrolysate is evaluated as a sustainable binder for MgO‐C refractories. Its thermally induced cross‐linking and gas release lead to expansion and cracking in large bricks, but tailored batches with lignin, recyclates, or fine graphite improve the gas release while thermal treatment and stability.
Till M. J. Stadtmüller, Florian Kerber, Kirsten Moritz, Steffen Dudczig, Konstantin Kraushaar, Thomas Schemmel, Jana Hubálková, Patrick Gehre, Christos G. Aneziris   +8 more
wiley   +1 more source

Predictive topological modeling of the structure-property relationships in naturally occurring anti-cancer chalcones. [PDF]

Sci Rep
Obaid AAR, Hakeem A, Ullah A, Zaman S, Ahmad H, Ali P, Belay MB.   +6 more
europepmc   +1 more source

Dielectric Barrier Discharge Plasma Deoxidation of Natively Oxide Layer of Copper Powders in a Fluidized Bed

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, Annett Wollmann, Thomas Gimpel, Alfred P. Weber   +3 more
wiley   +1 more source

Multifunctional Crushing and Piezoresistive Self‐Sensing in Conductive Epoxy/CNT‐Coated Polyetherimide TPMS Lattices

Advanced Engineering Materials, EarlyView.
This study reports lightweight polyetherimide triply periodic minimal surfaces lattices coated with carbon nanotube‐reinforced epoxy that combine mechanical robustness with self‐sensing. The conformal coating enhances stiffness, strength and energy absorption while enabling reliable strain monitoring.
A. Triay, J. Schneider, P. Harrison, S. Kumar   +3 more
wiley   +1 more source

Comparative Review of <i>O</i>,<i>O</i>'-, <i>N</i>,<i>O</i>-, and <i>N</i>,<i>N</i>'-Bidentate Ligands: Structural and Electronic Properties of β-Diketones, Enaminones, and β-Diketiminates. [PDF]

Molecules
Conradie J.
europepmc   +1 more source