Results 91 to 100 of about 291,774 (264)

Karl Popper and the Mechanisms of Hydrogen Embrittlement

Advanced Engineering Materials, EarlyView.
Representation of the beginning of loss of ductility rather than embrittlement. Small concentrations of hydrogen in a diffusible form within iron are well‐established to harm the mechanical integrity of steels. There are theories that attempt to explain the pernicious role of hydrogen.
H. K. D. H. Bhadeshia
wiley   +1 more source

Simulation of Sub-molecular and Supra-molecular Fluids

Physica A: Statistical Mechanics and its Applications, 1991
Computer simulations indicate that many forms of liquid crystalline order in lyotropic systems may be due to simple excluded volume effects. Yet, there is more to liquid crystalline ordering than simple hard-core repulsion. In order to understand liquid crystalline order in supra-molecular systems one must consider the effect of molecular flexibility ...
openaire   +3 more sources

Repurposing FDA-Approved Agents to Develop a Prototype Helicobacter pylori Shikimate Kinase (HPSK) Inhibitor: A Computational Approach Using Virtual Screening, MM-GBSA Calculations, MD Simulations, and DFT Analysis

Pharmaceuticals
Background/Objectives: Helicobacter pylori infects approximately half of the global population, causing chronic gastritis, peptic ulcers, and gastric cancer, a leading cause of cancer mortality.
Abdulaziz H. Al Khzem, Tagyedeen H. Shoaib, Rua M. Mukhtar, Mansour S. Alturki, Mohamed S. Gomaa, Dania Hussein, Nada Tawfeeq, Mohsina Bano, Mohammad Sarafroz, Raghad Alzahrani, Hanin Alghamdi, Thankhoe A. Rants’o   +11 more
doaj   +1 more source

Fostering Innovation: Streamlining Magnetocaloric Materials Research by Digitalization

Advanced Engineering Materials, EarlyView.
Magnetocaloric cooling (MCE) is an environmentally friendly refrigeration method with great potential. Optimizing MCE materials involves the preparation and screening of large quantities of samples, which in turn generates a large amount of data. A digitalization approach is presented that uses ontologies, knowledge graphs, and digital workflows to ...
Simon Bekemeier, Moritz Blum, Luana Caron, Alisa Chirkova, Philipp Cimiano, Basil Ell, Inga Ennen, Michael Feige, Maik Gaerner, Thomas Hilbig, Andreas Hütten, Günter Reiss, Tapas Samanta, Sonja Schöning, Christian Schröder, Lennart Schwan, Chris Taake, Martin Wortmann   +17 more
wiley   +1 more source

In Silico, In Vitro, and In Vivo Antinociceptive Potential of S‐Naproxen Derivatives

ChemistryOpen
Selected naproxen derivatives were investigated for their antinociceptive effects, using in vitro (COX‐I/COX‐II antagonistic effect), in vivo (acetic acid and hot plate assay), and in silico (molecular simulation studies) approaches.
Ubaidullah, Naveed Muhammad, Abad Khan, Rahaf Ajaj, Abdur Rauf, Umer Rashid, Fahad Hussain, Rashid Khan, Faiza Seraj, Uzma Uzma, Basharat Ali, Abdul Sadiq, Khalid Mohammed Khan, Marcello Iriti   +13 more
doaj   +1 more source

7-Methylguanine With a Cyclopentane Backbone: A Bright Combination for a FIT-PNA RNA Sensor

British Journal of Biomedical Science
FIT-PNAs (forced intercalation-Peptide Nucleic Acids) are promising RNA sensors due to the enhanced fluorescence gained by such molecules upon RNA hybridization.
Salam Maree, Pinaki Chanda, Sheethal Thomas Mannully, Hongchao Zheng, Daniel H. Appella, Eylon Yavin   +5 more
doaj   +1 more source

PASTA‐ELN: Simplifying Research Data Management for Experimental Materials Science

Advanced Engineering Materials, EarlyView.
Research data management faces ongoing hurdles as many ELNs remain complex and restrictive. PASTA‐ELN offers an open‐source, cross‐platform solution that prioritizes simplicity, offline access, and user control. Its in tuitive folder structure, modular Python add‐ons, and open formats enable seamless documentation, FAIR data practices, and easy ...
S. Brinckmann, G. Winkens, R. Schwaiger
wiley   +1 more source

Into the Groove: A Multitechnique Insight into the DNA–Vemurafenib Interaction

Applied Biosciences
This study explores the interaction between Vemurafenib (VEM), a potent BRAF inhibitor, and calf thymus DNA (ctDNA) using a comprehensive array of biophysical and computational techniques.
Gabriele Cavalieri, Riccardo Pison, Domenico Marson, Erik Laurini, Sabrina Pricl   +4 more
doaj   +1 more source

Modular Critical Element Recycling Platform Using a Nanoporous Additively Manufactured Gyroid

Advanced Engineering Materials, EarlyView.
A modular recycling platform integrates 3D‐printed nanoporous gyroid structures to enable efficient critical element recovery. This system utilizes a hierarchical architecture, combining macroscopic channels with polymerization‐induced nanoscale porosity. By systematically tuning structural wall thickness and resin formulation, the platform achieves an
Xiangyu Gao, Keldy Mason, Mert Gülçür, Rachel Paddock‐Lamb, Prince Alvin Fofanah, Zachariah A. Page, Michael Cullinan   +6 more
wiley   +1 more source

Characterizing the hard and soft nanoparticle-protein corona with multilayer adsorption

Frontiers in Nanotechnology
Nanoparticles (NPs) in contact with biological fluid adsorb biomolecules into a corona. This corona comprises proteins that strongly bind to the NP (hard corona) and loosely bound proteins (soft corona) that dynamically exchange with the surrounding ...
Oriol Vilanova, Oriol Vilanova, Alberto Martinez-Serra, Marco P. Monopoli, Giancarlo Franzese, Giancarlo Franzese   +5 more
doaj   +1 more source