Results 211 to 220 of about 633,406 (289)

Prenucleation Species Dictate Foreign Ion Incorporation in the Biomineral Precursor Amorphous Calcium Carbonate

Advanced Functional Materials, EarlyView.
ACC forms via aggregating prenucleation clusters that gatekeep its chemical composition. Ion identity steers the path: Ba and Sr substitute Ca in clusters, thereby inhibiting nucleation, with a dose‐dependent switch of Sr to induction. Mg partitions into Mg‐rich and Mg‐poor clusters; the latter form ACC, expelling Mg.
Qianyu Zhao, Patrick Duchstein, Benedikt Demmert, Thi Q. Nhi Dao, Krishnaveni Anjala, Evelyn Gruber, Franziska Gröhn, Dirk Zahn, Dorrit E. Jacob, Stephan E. Wolf   +9 more
wiley   +1 more source

CCD2MD: A Suite of Packages for Preparing Co-Folded Outputs for Molecular Dynamics Simulations. [PDF]

J Chem Inf Model
Blow KE, Parrag M, Stansfeld PJ.
europepmc   +1 more source

Electrocatalytic Reduction of CO2 to Ethylene: Catalyst Design and Synchrotron‐Based Characterizations

Advanced Functional Materials, EarlyView.
This review evaluates strategies for electrochemical CO2 reduction to ethylene, focusing on copper‐based catalyst design and microenvironment modulation to achieve industrial‐grade performance. By leveraging operando synchrotron‐based characterizations, we provide a multiscale understanding of dynamic structural transformations and key reaction ...
Meng Zhang, Zuolong Chen, Yimin A. Wu
wiley   +1 more source

Locally ordered junctions govern diffusion in triglycerides: insights from molecular dynamics simulations. [PDF]

RSC Adv
Kitamura Y, Yasuda Y, Metoki J, Tsujino S, Yoshimura K, Watanabe T, Fujimoto K.   +6 more
europepmc   +1 more source

Actuating and Sensing Composites of Liquid Crystal Elastomers and Poly(ionic liquid)s

Advanced Functional Materials, EarlyView.
Ionic conductive, mechanically tough, flexible, and stretchable filaments of a composite material comprising a liquid crystal elastomer and a poly(ionic liquid) are produced through 3D printing, which exhibit large actuation strain under stimulation and electrical resistance variation in response to deformation or environmental condition changes. Their
Zeping Liu, Xiaofeng Zheng, Shaoxia Zhang, Long Xu, Meng Liu, Jeremy Baribeault St‐Germain, Yue Zhao   +6 more
wiley   +1 more source

Coarse-Grained Molecular Dynamics Simulations of Lipid Nanodroplets and Endosomal Membranes: Focusing on the Fusion Mechanisms. [PDF]

Int J Mol Sci
Go YJ, Jadamba E, Shin H.
europepmc   +1 more source

Laser Engineering of HfN‐Based Nanoparticles for Safe NIR‐I Photothermal and X‐ray Enhancing Cancer Therapies

Advanced Functional Materials, EarlyView.
In this study, we produced HfN‐based nanoparticles via femtosecond laser ablation in acetone. The nanoparticles exhibit a red‐shifted plasmonic resonance in the NIR‐I window, colloidal stability after coating with polyethyleneglycol, and excellent biocompatibility. The photothermal and X‐ray sensitization therapeutic effects were demonstrated for tumor
Julia S. Babkova, Ivan V. Zelepukin, Lyubov V. Gorelik, Anton L. Popov, Andrei I. Pastukhov, Gleb V. Tikhonowski, Maxim S. Savinov, Danil D. Kolmanovich, Nikita A. Pivovarov, Alina Yu. Kapitannikova, Anton A. Popov, Anna S. Sogomonyan, Vsevolod A. Skribitsky, Aziz B. Mirkasymov, Andrei V. Kabashin, Sergey M. Deyev   +15 more
wiley   +1 more source

Energy Landscape and Kinetic Analysis of Molecular Dynamics Simulations for Intrinsically Disordered Proteins. [PDF]

J Phys Chem B
Schäffler M, Wales DJ, Strodel B.
europepmc   +1 more source

From Clinic to Computation: Multiscale Bioengineering Strategies for Durable Biological Aortic Valve Replacements

Advanced Functional Materials, EarlyView.
Bioprosthetic aortic valves have revolutionized the treatment of aortic stenosis, but their durability is limited by structural valve deterioration (SVD). This review focuses on the pericardial tissue at the heart of these valves, examining how its mechanical properties and calcification drive fatigue and failure.
Gabriele Greco, Pierfrancesco Gaziano, Serena Anglese, Simone Morganti, Carlo de Vincentiis, Ferdinando Auricchio, Michele Marino, Michele Conti   +7 more
wiley   +1 more source

Understanding How Synthetic Impurities Affect Glyphosate Solubility and Crystal Growth Using Free Energy Calculations and Molecular Dynamics Simulations. [PDF]

J Phys Chem B
Castro A, Sanchez-Burgos I, H Espejo N, Garaizar A, Maggioni GM, Espinosa JR.   +5 more
europepmc   +1 more source