Results 81 to 90 of about 70,729 (246)

In Silico Lung Deposition Profiles of Three Single-Inhaler Triple Therapies in Patients with COPD Using Functional Respiratory Imaging

International Journal of COPD
Dave Singh,1 Nicolas Roche,2,3 Libo Wu,4 Hosein Sadafi,5 Jan De Backer,6,7 Navid Monshi Tousi,5 Jonathan Marshall8 1Respiratory Research Group, University of Manchester, Medicines Evaluation Unit, Manchester University National Health Service Foundation ...
Singh D, Roche N, Wu L, Sadafi H, De Backer J, Monshi Tousi N, Marshall J   +6 more
doaj  

Predicting Atomic Charges in MOFs by Topological Charge Equilibration

Advanced Functional Materials, EarlyView.
An atomic charge prediction method is presented that is able to accurately reproduce ab‐initio‐derived reference charges for a large number of metal–organic frameworks. Based on a topological charge equilibration scheme, static charges that fulfill overall neutrality are quickly generated.
Babak Farhadi Jahromi, Sumukh Shankar Sharadaprasad, Rochus Schmid   +2 more
wiley   +1 more source

Response to the Letter to the Editor by Zambelli et al for In Silico Lung Deposition Profiles of Three Single-Inhaler Triple Therapies in Patients With COPD Using Functional Respiratory Imaging [Response To Letter]

International Journal of COPD
Dave Singh,1 Nicolas Roche,2,3 Libo Wu,4 Hosein Sadafi,5 Jan De Backer,6,7 Navid Monshi Tousi,5 Jonathan Marshall8 1Respiratory Research Group, University of Manchester, Medicines Evaluation Unit, Manchester University National Health Service Foundation ...
Singh D, Roche N, Wu L, Sadafi H, De Backer J, Monshi Tousi N, Marshall J   +6 more
doaj  

Study of blood flow patterns in a stenosed artery through the combined effect of body acceleration and generalized womersley solution

Scientific Reports
Stenosis causes the narrowing of arteries due to plaque buildup, which impedes blood flow and affects flow dynamics. This work numerically analyzes flow fluctuations in stenosed arteries under realistic physiological conditions (resting and exercise) and
Mahesh C. Udupa, Sunanda Saha, Sekarapandian Natarajan   +2 more
doaj   +1 more source

Transition From Lattice Oxygen to Radical‐Mediated Oxidation in Ammonium‐Intercalated Birnessite Catalysts for Selective Valorization of Biomass to Produce Formic Acid

Advanced Functional Materials, EarlyView.
The catalytic valorization of biomass represents an essential approach for achieving sustainable chemical production, with formic acid (FA) being recognized as a valuable platform chemical for hydrogen storage and environmentally friendly synthetic applications.
Yiqi Geng, Wei Xiong, Wenhua Xue, Jian Ye, Puranjan Mishra, Rajenahally V. Jagadeesh, Jun Zhao   +6 more
wiley   +1 more source

Computational Fluid Dynamics

Tetsu-to-Hagane, 1989
Tetuya KAWAMURA, Hideo TAKAMI
openaire   +3 more sources

PRELIVE: A Framework for Predicting Lipid Nanoparticles In Vivo Efficacy and Reducing Reliance on Animal Testing

Advanced Functional Materials, EarlyView.
PREdicting LNP In Vivo Efficacy (PRELIVE) framework enables the prediction of lipid nanoparticle (LNPs) organ‐specific delivery through dual modeling approaches. Composition‐based models using formulation parameters and protein corona‐based models using biological fingerprints both achieve high predictive accuracy across multiple organs.
Belal I. Hanafy, Chuan‐En Lu, Kai Liu, Audrey Gallud   +3 more
wiley   +1 more source

Universal Electronic‐Structure Relationship Governing Intrinsic Magnetic Properties in Permanent Magnets

Advanced Functional Materials, EarlyView.
Permanent magnets derive their extraordinary strength from deep, universal electronic‐structure principles that control magnetization, anisotropy, and intrinsic performance. This work uncovers those governing rules, examines modern modeling and AI‐driven discovery methods, identifies critical bottlenecks, and reveals electronic fingerprints shared ...
Prashant Singh
wiley   +1 more source

Selective Separation of the Rare Earth Elements Dysprosium and Neodymium via Tailoring Nanocellulose Chemical Structure

Advanced Functional Materials, EarlyView.
Dicarboxylate‐modified anionic hairy cellulose nanocrystals exhibit a high selectivity for dysprosium(III) over neodymium(III). This selectivity arises from disordered dicarboxylate cellulose “hairs” that enable cooperative ionic coordination, hydrogen bonding, and strain‐induced conformational shrinkage.
Roya Koshani, Shang‐Lin Yeh, Karuna Anna Sajeevan, Mica L. Pitcher, Dawson Alexander, Ratul Chowdhury, Amir Sheikhi   +6 more
wiley   +1 more source

Electric Field‐Dependent Conductivity as Probe for Charge Carrier Delocalization and Morphology in Organic Semiconductors

Advanced Functional Materials, EarlyView.
Applying a high electric field to a doped organic semiconductor heats up the charge carrier distribution beyond the lattice temperature, enhancing conductivity. It is shown that the associated effective temperature can be used to extract the effective localization length, which is a characteristic length scale of charge transport and provides ...
Morteza Shokrani, Felix Maximilian Graf, Anton Kompatscher, Dennis Derewjanko, Martijn Kemerink   +4 more
wiley   +1 more source