Results 111 to 120 of about 1,164,525 (314)

Density-based Reactivity Theory Applied to Excited States

, 2023
Excited states are essential to many chemical processes in photosynthesis, solar cells, light-emitting diodes, and so on, yet how to formulate, quantify, and predict physiochemical properties for excited states from the theoretical perspective is far ...
Xiaoyan, An, CHunying, Rong, Meng, Li, Wenbiao, Zhang, Shubin, Liu, Xin, He   +5 more
core   +1 more source

Gut microbiome and aging—A dynamic interplay of microbes, metabolites, and the immune system

FEBS Letters, EarlyView.
Age‐dependent shifts in microbial communities engender shifts in microbial metabolite profiles. These in turn drive shifts in barrier surface permeability of the gut and brain and induce immune activation. When paired with preexisting age‐related chronic inflammation this increases the risk of neuroinflammation and neurodegenerative diseases.
Aaron Mehl, Eran Blacher
wiley   +1 more source

Molecular excitation energies to high-lying bound states from timedependent density-functional response thesoty:Characterization and correction of the time-dependent local density approximation ionization threshold

, 1998
This paper presents an evaluation of the performance of time-dependent density-functional response theory (TD-DFRT) for the calculation of high-lying bound electronic excitation energies of molecules.
Kim C. Casida, Christine Jamorski, and Dennis R. Salahub, Mark E. Casida   +3 more
core  

Influence of intrinsic point defects and substitutional impurities (Cl, I-S) on the electronic structure of 2H-SnS2

Semiconductor Physics, Quantum Electronics & Optoelectronics, 2018
It was performed the systematic investigation of chemical modification regularities of electronic structure at the composition changes of “ideal” 2H-SnS 2 crystal by using the self-consistent density functional theory method in the supercell model.
D.I. Bletskan, V.V. Frolova
doaj   +1 more source

Linking neurogenesis, oligodendrogenesis, and myelination defects to neurodevelopmental disruption in primary mitochondrial disorders

FEBS Letters, EarlyView.
Mitochondrial remodeling shapes neural and glial lineage progression by matching metabolic supply with demand. Elevated OXPHOS supports differentiation and myelin formation, while myelin compaction lowers mitochondrial dependence, revealing mitochondria as key drivers of developmental energy adaptation.
Sahitya Ranjan Biswas, Porter L. Tomsick, Alicia M. Pickrell, Paul D. Morton   +3 more
wiley   +1 more source

Density of Phonon States in Cubic Ice Ic

, 2021
The measurement of the H-projected density of phonon states (H-DOPS) of polycrystalline ice Ic has been performed with an unprecedented accuracy, and in a sample having an almost perfect crystallographic purity, as it was obtained from the transformation
English NJ, Leonardo, del Rosso, Daniele, Colognesi, Niall J., English, Rudić S, Colognesi D, Milva, Celli, Ulivi L, Celli M, Lorenzo, Ulivi, del Rosso L, Svemir, Rudic   +11 more
core   +1 more source

An isoform of 14‐3‐3 protein regulates transbilayer lipid movement at the plasma membrane

FEBS Letters, EarlyView.
Loss of 14‐3‐3ζ in CHO cells confers resistance to exogenous phosphatidylserine (PS) and impairs endocytosis‐independent inward flip‐flop of fluorescent PS at the plasma membrane. RNAi‐mediated knockdown reproduces this defect, while no additive effect is seen in ATP11C‐deficient cells.
Akiko Yamaji‐Hasegawa, Akira Hattori, Masafumi Tsujimoto, Toshihide Kobayashi   +3 more
wiley   +1 more source

Surface Hopping Dynamics with DFT Excited States

, 2015
WOS:000361155700012International audienceNonadiabatic dynamics simulation of electronically-excited states has been a research area of fundamental importance, providing support for spectroscopy, explaining photoinduced processes, and predicting new ...
Barbatti, Mario, Barbatti, M., Crespo-Otero, R., Crespo-Otero, Rachel, Barbatti, M, Mario Barbatti, Crespo-Otero, R, Rachel Crespo-Otero   +7 more
core   +1 more source

Organizing the interface—Plasma membrane architecture and receptor dynamics in virus‐cell interactions

FEBS Letters, EarlyView.
Plasma membranes contain dynamic nanoscale domains that organize lipids and receptors. Because viruses operate at similar scales, this architecture shapes early infection steps, including attachment, receptor engagement, and entry. Using influenza A virus and HIV‐1 as examples, we highlight how receptor nanoclusters, multivalent glycan interactions ...
Jan Schlegel, Christian Sieben
wiley   +1 more source

Tokyo, Japan 1945

, 1945
Includes 5 inset maps, showing population density, functional differentiation, relief, and bay area. "No. 6485." "16 May 1945." "Restricted." "Black numbers on map refer to index no.
United States. Office of Strategic Services. Research and Analysis Branch, United States. Office of Strategic Services. Research and Analysis Branch;   +1 more
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