Results 51 to 60 of about 1,659,912 (338)
Scientific Reports, 2017 Time-dependent density functional theory (TDDFT) and atoms in molecules (AIM) theory are combined to study the photoinduced excited state intramolecular proton transfer (ESIPT) dynamics for eight anthraquinones (AQs) derivatives in solution.
Daoyuan Zheng +2 more
doaj +1 more source
Analysis of reaction dynamics at RHIC in a combined parton/hadron transport approach [PDF]
, 1999 We introduce a transport approach which combines partonic and hadronic degrees of freedom on an equal footing and discuss the resulting reaction dynamics.
A. Dumitru +28 more
core +2 more sources
Molecular bases of circadian magnesium rhythms across eukaryotes
FEBS 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
Disordered but rhythmic—the role of intrinsic protein disorder in eukaryotic circadian timing
FEBS 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
Nature CommunicationsQuantum interference between reaction pathways plays a crucial role in understanding the microscopic mechanisms of chemical reactions. The hydrogen exchange reaction, involving a well-characterized conical intersection, exhibits rich dynamics arising ...
Shihao Li +11 more
doaj +1 more source
Water adsorption on amorphous silica surfaces: A Car-Parrinello simulation study
, 2005 A combination of classical molecular dynamics (MD) and ab initio Car-Parrinello molecular dynamics (CPMD) simulations is used to investigate the adsorption of water on a free amorphous silica surface.
Allen M P +9 more
core +2 more sources
Protein pyrophosphorylation by inositol pyrophosphates — detection, function, and regulation
FEBS 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
Conformer-specific Infrared spectroscopy of cationic Criegee intermediates syn- and anti-CH3CHOO+
Nature CommunicationsCriegee intermediates are pivotal in atmospheric chemistry, yet their cationic forms remain poorly understood. This study presents the infrared spectra of cationic Criegee intermediates, specifically syn- and anti-CH3CHOO+, using vacuum ultraviolet ...
Ende Huang +9 more
doaj +1 more source
Advanced Science, 2023 Single‐component metal halides with white light emission are highly attractive for solid‐state lighting applications, but it is still challenging to develop all‐inorganic lead‐free metal halides with high white‐light emission efficiency.
Sijia Wang +8 more
doaj +1 more source
Population–reaction model and microbial experimental ecosystems for understanding hierarchical dynamics of ecosystems [PDF]
, 2016 Understanding ecosystem dynamics is crucial as contemporary human societies face ecosystem degradation. One of the challenges that needs to be recognized is the complex hierarchical dynamics.
Hosoda, Kazufumi +3 more
core +1 more source