Results 61 to 70 of about 1,006,885 (295)

Molecular bases of circadian magnesium rhythms across eukaryotes

open access: yesFEBS Letters, EarlyView.
Circadian rhythms in intracellular [Mg2+] exist across eukaryotic kingdoms. Central roles for Mg2+ in metabolism suggest that Mg2+ rhythms could regulate daily cellular energy and metabolism. In this Perspective paper, we propose that ancestral prokaryotic transport proteins could be responsible for mediating Mg2+ rhythms and posit a feedback model ...
Helen K. Feord, Gerben van Ooijen
wiley   +1 more source

Desalination of seawater via the freeze-thaw method based on density functional theory

open access: yesScientific Reports
In the context of a severe global water scarcity, seawater desalination technologies have undergone rapid advancements. Among these, the freeze-thaw method, as a novel and emerging desalination technique, has garnered increasing attention.In this study ...
Tongguo Zhao   +5 more
doaj   +1 more source

Efficient iterative method for solving the Dirac-Kohn-Sham density functional theory

open access: yes, 2013
We present for the first time an efficient iterative method to directly solve the four-component Dirac-Kohn-Sham (DKS) density functional theory. Due to the existence of the negative energy continuum in the DKS operator, the existing iterative techniques
E, Weinan, Lin, Lin, Shao, Sihong
core   +1 more source

Real-space density functional theory and time dependent density functional theory using finite/infinite element methods

open access: yesComputer Physics Communications, 2012
zbMATH Open Web Interface contents unavailable due to conflicting licenses.
Soba, Alejandro   +4 more
openaire   +2 more sources

Interplay between circadian and other transcription factors—Implications for cycling transcriptome reprogramming

open access: yesFEBS Letters, EarlyView.
This perspective highlights emerging insights into how the circadian transcription factor CLOCK:BMAL1 regulates chromatin architecture, cooperates with other transcription factors, and coordinates enhancer dynamics. We propose an updated framework for how circadian transcription factors operate within dynamic and multifactorial chromatin landscapes ...
Xinyu Y. Nie, Jerome S. Menet
wiley   +1 more source

Combining the Hybrid Functional Method with Dynamical Mean-Field Theory

open access: yes, 2008
We present a new method to compute the electronic structure of correlated materials combining the hybrid functional method with the dynamical mean-field theory.
Anisimov V.   +6 more
core   +2 more sources

Disordered but rhythmic—the role of intrinsic protein disorder in eukaryotic circadian timing

open access: yesFEBS Letters, EarlyView.
Unstructured domains known as intrinsically disordered regions (IDRs) are present in nearly every part of the eukaryotic core circadian oscillator. IDRs enable many diverse inter‐ and intramolecular interactions that support clock function. IDR conformations are highly tunable by post‐translational modifications and environmental conditions, which ...
Emery T. Usher, Jacqueline F. Pelham
wiley   +1 more source

Quantum chemical study on the interaction of carbon nanotube with polyethylene and polypropylene oligomers

open access: yesХімія, фізика та технологія поверхні, 2019
The results of the study on the properties of carbon nanotubes-polymer nanocomposites have shown that the use of nanotubes (CNT) to fill the polymer matrices of different species significantly alter their physical properties compared to the original ...
M. I. Terets   +8 more
doaj   +1 more source

Effect of principal and secondary ligands on the electronic structures and spectra of a series of ruthenium(II) complexes [PDF]

open access: yesJournal of the Serbian Chemical Society, 2016
A DFT(density functional theory)/TDDFT(time-dependent density functional theory) investigation is performed to study the ground-state geometries, electronic structures, and absorption spectra of twelve ruthenium(II) thiosemicarbazone complexes ...
Zhang Yanli, Li Jieqiong, Wang Li
doaj   +1 more source

Protein pyrophosphorylation by inositol pyrophosphates — detection, function, and regulation

open access: yesFEBS Letters, EarlyView.
Protein pyrophosphorylation is an unusual signaling mechanism that was discovered two decades ago. It can be driven by inositol pyrophosphate messengers and influences various cellular processes. Herein, we summarize the research progress and challenges of this field, covering pathways found to be regulated by this posttranslational modification as ...
Sarah Lampe   +3 more
wiley   +1 more source

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