Results 141 to 150 of about 1,388,181 (313)

Exchange energy and potential using the Laplacian of the density

open access: yes, 2012
The challenge of density functional theory is the useful approximation of the exchange - correlation energy. This energy can be approximated with the local electron density and the gradient of the density.
Wagner, Christopher E.
core  

Raman‐based label‐free microscopic analysis of the pancreas in living zebrafish larvae

open access: yesFEBS Open Bio, EarlyView.
Forward stimulated Raman scattering (F‐SRS) and epi coherent anti‐Stokes Raman scattering (E‐CARS) allow label‐free discrimination of distinct subcellular structures in the pancreas of living zebrafish larvae. Given the straightforward applicability, we anticipate broad implementation of Raman microscopy in other organs and across various biomedical ...
Noura Faraj   +3 more
wiley   +1 more source

Polarization‐resolved femtosecond Vis/IR spectroscopy tailored for resolving weak signals in biological samples using minimal sample volume

open access: yesFEBS Open Bio, EarlyView.
Unique biological samples, such as site‐specific mutant proteins, are available only in limited quantities. Here, we present a polarization‐resolved transient infrared spectroscopy setup with referencing to improve signal‐to‐noise tailored towards tracing small signals. We provide an overview of characterizing the excitation conditions for polarization‐
Clark Zahn, Karsten Heyne
wiley   +1 more source

A light‐triggered Time‐Resolved X‐ray Solution Scattering (TR‐XSS) workflow with application to protein conformational dynamics

open access: yesFEBS Open Bio, EarlyView.
Time‐resolved X‐ray solution scattering captures how proteins change shape in real time under near‐native conditions. This article presents a practical workflow for light‐triggered TR‐XSS experiments, from data collection to structural refinement. Using a calcium‐transporting membrane protein as an example, the approach can be broadly applied to study ...
Fatemeh Sabzian‐Molaei   +3 more
wiley   +1 more source

A linear model of synergetic current drive with lower-hybrid wave and electron cyclotron wave

open access: yesNuclear Fusion
A linear model of synergetic current drive (SCD) with lower-hybrid wave (LHW) and electron cyclotron wave (ECW) is developed to quickly calculate the quantitative SCD efficiency and reveal the conditions for the occurrence of the synergy effect.
Shao-Yong Chen   +4 more
doaj   +1 more source

Single‐molecule DNA flow‐stretch assays for high‐throughput DNA–protein interaction studies

open access: yesFEBS Open Bio, EarlyView.
We describe an optimised single‐molecule DNA flow‐stretch assay that visualises DNA–protein interactions in real time. Linear DNA fragments are tethered to a surface and stretched by buffer flow for fluorescence imaging. Using λ and φX174 DNA, this protocol enhances reproducibility and accessibility, providing a versatile approach for studying diverse ...
Ayush Kumar Ganguli   +8 more
wiley   +1 more source

A novel redox flow battery with high energy density based on the zinc/polyalide redox chemistries

open access: yes, 2012
A novel redox flow battery with high energy density based on the zinc polyalide redox ...
张立群
core  

Chameleon sequences reveal structural effects in proteins representing micelle‐like distribution of hydrophobicity

open access: yesFEBS Open Bio, EarlyView.
Amino acids sequence of two different proteins with the same sequence (chameleon sequence—black boxes) represent in 3D structure of the proteins different secondary structures: HHHH—helical and BBB—Beta‐structural. The chains folded in water environment adopt different III‐order structures in which the chameleon fragments appear to adopt similar status
Irena Roterman   +4 more
wiley   +1 more source

The Free Energy Density of a Fluid and its Role in Solvation and Binding

open access: yes
The concept that a fluid has a position-dependent free energy density appears in the literature but has not been fully developed or accepted. We set this concept on an unambiguous theoretical footing via the following strategy.
Michael K., Gilson, Tom, Kurtzman
core   +1 more source

Towards Density Functional Approximations from Coupled Cluster Correlation Energy Densities

open access: yes, 2019
(Semi-)local density functional approximations (DFAs) are the workhorse electronic structure methods in condensed matter theory and surface science.
Christian Kunkel   +11 more
core   +1 more source

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