Results 181 to 190 of about 488,251 (257)

The Selenium Paradox: From Evolutionary Redox Chemistry to Medicinal Chemistry. [PDF]

Int J Mol Sci
Proto M, Giraldi C, Santi C.
europepmc   +1 more source

Triple Junctions as Dislocation‐Like Defects: The Role of Grain Boundary Crystallography Revealed by Experiment and Atomistic Simulation

Advanced Engineering Materials, EarlyView.
Grain boundary triple junctions are an essential ingredient of the microstructure of polycrystalline materials. In this study, a triple junction is observed using atomic‐resolution scanning transmission electron microscopy and characterized. Computer simulations reveal that the junction has a dislocation character that is determined by the joining ...
Tobias Brink, Saba Saood, Peter Schweizer, Jörg Neugebauer, Gerhard Dehm   +4 more
wiley   +1 more source

Crystal Engineering as an Efficient Medicinal Chemistry Tool for Animal PK Bioavailability Enhancement in Early Pre-Clinical Research. [PDF]

Pharmaceuticals (Basel)
Becker A, von Essen C, Burgdorf L, Lecomte M, Bischof D.   +4 more
europepmc   +1 more source

A Practical Noise2Noise Denoising Pipeline for High‐Throughput Raman Spectroscopy

Advanced Engineering Materials, EarlyView.
A lightweight and reproducible denoising pipeline for high‐throughput Raman spectroscopy is introduced, based on a 1D convolutional autoencoder trained with a Noise2Noise strategy. Using only repeated short‐exposure acquisitions, the method suppresses stochastic noise without reference spectra, enabling reliable spectral reconstruction while preserving
David Martin‐Calle, Cesar Alvarez‐Llamas, Vincent Motto‐Ros, Christophe Dujardin, Jérémie Margueritat, David Rodney   +5 more
wiley   +1 more source

Thermodynamically consistent machine learning model for excess Gibbs energy. [PDF]

Nat Commun
Hoffmann M, Specht T, Göttl Q, Burger J, Mandt S, Hasse H, Jirasek F.   +6 more
europepmc   +1 more source

Influence of Scan Strategies in Electron Beam Powder Bed Fusion on Solidification, Microstructure, and High‐Temperature Compressive Properties of γ′‐Strengthened Inconel 738LC

Advanced Engineering Materials, EarlyView.
Experiments and thermophysical simulations were conducted to investigate the electron beam powder bed fusion electron beam (PBF‐EB/M) process for the γ′‐strengthened nickel‐based superalloy Inconel 738LC. The results demonstrate the impact of process‐induced microstructural variations on high‐temperature mechanical behavior, providing a basis for ...
Jan Niklas Petenati, Karthik Kumar Banku, Prasanth Bondi, Ivan Zhirnov, Yangyiwei Yang, Gordon Schmidt, Jürgen Christen, Georg Hasemann, Manja Krüger, Bai‐Xiang Xu, Bilal Gökce, Silja‐Katharina Rittinghaus   +11 more
wiley   +1 more source

Temperature dependent behavior of hydrogen-bonded liquids: bridging experiments with molecular dynamics and DFT. [PDF]

Sci Rep
Almasi M, Vatanparast M.
europepmc   +1 more source

Continuous Stiffness Graded Metal–Ceramic Femoral Stems: UMAT‐Based Design and Finite Element Assessment

Advanced Engineering Materials, EarlyView.
Functionally graded metal–ceramic femoral stems are engineered through continuous UMAT‐based stiffness tailoring, eliminating discrete material interfaces while enhancing biomechanical compatibility. Low‐index power‐law gradation optimizes load transfer, reduces stress shielding, and controls implant–bone micromotion, highlighting a materials‐design ...
Rihem Nouira, Sameh Elleuch, Hanen Jrad
wiley   +1 more source

Slow cooling and efficient extraction of hot carriers in perovskite films <i>via</i> engineering trap-mediated relaxation channels. [PDF]

Chem Sci
Zhang X, Leng J, Sun Q, Dong Q, Tong X, Song Y, Xu Y, Jin S, Tian W.   +8 more
europepmc   +1 more source

Actively Induced Supercoiling Can Slow Down Plasmid Solutions by Trapping the Threading Entanglements. [PDF]

ACS Nano
Staňo R, Rusková R, Račko D, Smrek J.
europepmc   +1 more source