Results 41 to 50 of about 1,133,350 (295)

The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies

, 2009
A study of the adsorption of CO on late 4d and $5d$ transition metal (111) surfaces (Ru, Rh, Pd, Ag, Os, Ir, and Pt) considering atop and hollow site adsorption is presented. The applied functionals include the gradient corrected PBE and BLYP functional,
A Stroppa, G Kresse, Gajdoš M, Marsman M, Somorjai G A, van Santen R A, van Santen R A, van Santen R A   +7 more
core   +1 more source

Mapping the evolution of mitochondrial complex I through structural variation

FEBS Letters, EarlyView.
Respiratory complex I (CI) is crucial for bioenergetic metabolism in many prokaryotes and eukaryotes. It is composed of a conserved set of core subunits and additional accessory subunits that vary depending on the organism. Here, we categorize CI subunits from available structures to map the evolution of CI across eukaryotes. Respiratory complex I (CI)
Dong‐Woo Shin, Tingting Chen, James A. Letts   +2 more
wiley   +1 more source

Investigation of Methacryloyl‐Modified Gelatin‐Based Hydrogels for Inkjet‐Printed Biosensors and Their Adherence to Polyethylene Terephthalate and Oriented Polypropylene Substrates

Engineering in Life Sciences
The COVID‐19 pandemic has highlighted the need for rapid, simple, and cost‐effective point‐of‐care testing (POCT) methods for pathogen detection. Hydrogel‐based biosensing has emerged as an increasingly popular approach, offering advantages such as ...
Caroline M. Trust, Regina M. Lehmann, Sarah Schmidt, Verena Singer, Dominic Baum, Christine McBeth, Achim Weber   +6 more
doaj   +1 more source

W/Si Multilayer Mirrors for Soft X-Ray Wavelengths < 2.4 nm

Surfaces
W/Si multilayer mirrors are a promising candidate for soft X-ray applications at wavelengths below 2.4 nm. However, their optical performance is strongly affected by interface roughness and interlayer mixing, which limits reflectivity.
Denys Sevriukov, Sergiy Yulin, Sven Schröder, Andreas Tünnermann   +3 more
doaj   +1 more source

On a new conformal functional for simplicial surfaces

, 2015
We introduce a smooth quadratic conformal functional and its weighted version $$W_2=\sum_e \beta^2(e)\quad W_{2,w}=\sum_e (n_i+n_j)\beta^2(e),$$ where $\beta(e)$ is the extrinsic intersection angle of the circumcircles of the triangles of the mesh ...
A Ben-Israel, AI Bobenko, AI Bobenko, CD Hodgson, D Cvetković, FC Marques, GM Ziegler, K Crane, M Wardetzky, N Olischläger, TJ Willmore, U Clarenz, W Blaschke   +12 more
core   +1 more source

Non-Adiabatic Potential-Energy Surfaces by Constrained Density-Functional Theory [PDF]

, 2006
Non-adiabatic effects play an important role in many chemical processes. In order to study the underlying non-adiabatic potential-energy surfaces (PESs), we present a locally-constrained density-functional theory approach, which enables us to confine ...
A. Hellman, Bernard Delley, Jörg Behler, Karsten Reuter, M. Born, M. S. Child, M. Scheffler, Matthias Scheffler, R. G. Parr, R. M. Dreizler, T. F. O’Malley   +10 more
core   +3 more sources

Organoids in pediatric cancer research

FEBS Letters, EarlyView.
Organoid technology has revolutionized cancer research, yet its application in pediatric oncology remains limited. Recent advances have enabled the development of pediatric tumor organoids, offering new insights into disease biology, treatment response, and interactions with the tumor microenvironment.
Carla Ríos Arceo, Jarno Drost
wiley   +1 more source

Monogenic functions on surfaces.

Journal für die reine und angewandte Mathematik (Crelles Journal), 1985
In this paper we introduce two sequences \((\Gamma_ k)_{k\to {\mathbb{N}}}\) and (\({\tilde \Gamma}{}_ k)_{k\in {\mathbb{N}}}\) of generalized Cauchy- Riemann operators on an m-dimensional surface \(\Sigma\) of \({\mathbb{R}}^{m+1}\). The first operators \(\Gamma_ 0\) and \({\tilde \Gamma}{}_ 0\) may be considered as generalizations to surfaces of the ...
openaire   +2 more sources

Reciprocal control of viral infection and phosphoinositide dynamics

FEBS Letters, EarlyView.
Phosphoinositides, although scarce, regulate key cellular processes, including membrane dynamics and signaling. Viruses exploit these lipids to support their entry, replication, assembly, and egress. The central role of phosphoinositides in infection highlights phosphoinositide metabolism as a promising antiviral target.
Marie Déborah Bancilhon, Bruno Mesmin
wiley   +1 more source

Effect of reinforcement ratio on contact angle in hydrophobic/superhydrophobic AA5754/SiCp composite materials [PDF]

Proceedings of the Estonian Academy of Sciences
Functional surfaces are defined as smart surfaces with properties different from the material’s own properties. These surfaces increase energy efficiency in various applications, reduce costs by extending the lifetime of materials, and contribute to ...
Tunahan Pamukcu, Nilhan Urkmez Taskin
doaj   +1 more source