Results 41 to 50 of about 207,343 (281)

Potentials of mean force in acidic proton transfer reactions in constrained geometries [PDF]

, 2016
Free energy barriers associated with the transfer of an excess proton in water and related to the potentials of mean force in proton transfer episodes have been computed in a wide range of thermodynamic states, from low-density amorphous ices to high ...
Martí Rabassa, Jordi
core   +2 more sources

Very Strong Hydrogen Bond in Nitrophthalic Cocrystals

Molecules
This work presents the studies of a very strong hydrogen bond (VSHB) in biologically active phthalic acids. Research on VSHB comes topical due to its participation in many biological processes.
Kinga Jóźwiak, Aneta Jezierska, Jarosław J. Panek, Andrzej Kochel, Barbara Łydżba-Kopczyńska, Aleksander Filarowski   +5 more
doaj   +1 more source

Hydrogen adsorption and diffusion around Si(001)/Si(110) corners in nanostructures [PDF]

, 2014
While the diffusion of hydrogen on silicon surfaces has been relatively well characterised both experimentally and theoretically, the diffusion around corners between surfaces, as will be found on nanowires and nanostructures, has not been studied ...
Bowler, David R., Brazdova, Veronika, Smith, Richard   +2 more
core   +2 more sources

Tumour–host interactions in Drosophila: mechanisms in the tumour micro‐ and macroenvironment

Molecular Oncology, EarlyView.
This review examines how tumour–host crosstalk takes place at multiple levels of biological organisation, from local cell competition and immune crosstalk to organism‐wide metabolic and physiological collapse. Here, we integrate findings from Drosophila melanogaster studies that reveal conserved mechanisms through which tumours hijack host systems to ...
José Teles‐Reis, Tor Erik Rusten
wiley   +1 more source

First principle study of hydrogen behavior in hexagonal tungsten carbide

, 2010
Understanding the behavior of hydrogen in hexagonal tungsten carbide (WC) is of particular interest for fusion reactor design due to the presence of WC in the divertor of fusion reactors.
Chen, Jun-Ling, Fang, Q. F., Kong, Xiang-Shan, Liu, C. S., Luo, G. -N., You, Yu-Wei   +5 more
core   +1 more source

Harnessing Fungal Biowelding for Constructing Mycelium‐Engineered Materials

Advanced Engineering Materials, EarlyView.
Mycelium‐bound composites (MBCs) offer low‐carbon alternatives for construction, yet interfacial bonding remains a critical challenge. This review examines fungal biowelding as a biocompatible adhesive, elucidating mycelium‐mediated interfacial mechanisms and their role in material assembly. Strategies to optimize biowelding are discussed, highlighting
Xue Brenda Bai, Xinrui Sarah Niu, Zhao Qin   +2 more
wiley   +1 more source

Zein‐Based Adhesives: Sustainable Extraction and Application in Bioadhesive Technologies

Advanced Engineering Materials, EarlyView.
Zein is extracted from corn gluten meal using a simple and scalable process with high yield (~90%). The resulting protein is applied in bioadhesives modified with Ca2+ and Fe3+ ions, exhibiting substrate‐dependent adhesion. The findings demonstrate competitive bonding performance and highlight the role of ionic interactions in tuning adhesion ...
Paula Bertolino Sanvezzo, Daniela Winsley Valereto Friozi, Vinícius de Oliveira, Marcia Cristina Branciforti   +3 more
wiley   +1 more source

Interrogating Low Barrier Hydrogen Bonds with Neutrons, X-rays, and Computation [PDF]

Structural Dynamics
Low barrier hydrogen bonds (LBHBs) are H-bonds where the barrier to proton transfer from the donor to the acceptor atom is comparable to the quantum mechanical zero-point energy of the interaction, resulting in proton delocalization.
Jiusheng Lin, Oksana Gerlits, Daniel W. Kneller, Kevin L. Weiss, Leighton Coates, Mark A. Hix, Solomon Y. Effah, Andrey Kovalevsky, Alice R. Walker, Mark A. Wilson   +9 more
doaj   +1 more source

Pseudo-Jahn-Teller origin of the low barrier hydrogen bond in N2H7+ [PDF]

The Journal of Chemical Physics, 2008
The microscopic origin and quantum effects of the low barrier hydrogen bond (LBHB) in the proton-bound ammonia dimer cation N2H7+ were studied by means of ab initio and density-functional theory (DFT) methods. These results were analyzed in the framework of vibronic theory and compared to those obtained for the Zundel cation H5O2+.
García Fernández, Pablo (físico), García Canales, L., García Lastra, J.M., Junquera Quintana, Francisco Javier, Moreno Mas, Miguel, Aramburu-Zabala Higuera, José Antonio   +5 more
openaire   +4 more sources

Reduction of Oxide Inclusions During the High‐Frequency Welding of Steel via a Nonthermal Ar/H2 Plasma Jet

Advanced Engineering Materials, EarlyView.
High‐frequency (HF) welding of steel is limited by oxide inclusions that degrade weld quality. This study demonstrates, for the first time, the integration of a nonthermal Ar/H2 dielectric barrier discharge (DBD) plasma jet into HF welding. Local plasma treatment provides effective shielding and in‐situ oxide reduction, resulting in markedly fewer and ...
Viktor Udachin, Lienhard Wegewitz, René Gustus, Henning Wiche, Wolfgang Maus‐Friedrichs   +4 more
wiley   +1 more source