Which <i>ab initio</i> calculation methods describe the charge transfer in ionic liquid vapors? Case study on EMIM-OTF reveals the frontier orbitals and the ionization threshold. [PDF]
Kuusik I, Kivimäki A, Kisand V.
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Early‐life exposure to a high‐fat diet altered intact Achilles tendons in rat offspring, making them thinner, stiffer, and molecularly distinct even without injury. These findings suggest that developmental high‐fat diet exposure may impair tendon quality and increase susceptibility to mechanical overload or tendon injury later in life.
Heyong Yin +3 more
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Alkali metal-induced modifications in the electronic and NLO properties of triselenasumanene complexes through DFT study. [PDF]
Rafee V, Kamalinahad S.
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Abruptly changing from aerobic to anaerobic conditions (sudden anaerobization) induced growth inhibition and a significant increase in intracellular labile ferrous iron in the aerotolerant anaerobe Amphibacillus xylanus. We found that free flavins mediate efficient electron transfer from NADH to ferric iron under anaerobic conditions, suggesting that ...
Shinya Kimata +13 more
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First-principles insights into the Janus MoPC monolayer as a promising anode for sodium-ion batteries. [PDF]
Vu TV +4 more
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In normal (nontolerant) cells, CD14 is crucial for both LPS uptake and LPS signaling. In LPS‐tolerant cells, in which LPS‐induced TNF‐α and IFN‐β production is suppressed, there is a dramatic increase in surface CD14 expression. The overexpressed CD14 in LPS‐tolerant cells is responsible for the enhanced LPS uptake without inducing pro‐inflammatory ...
Saeka Nishihara +3 more
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Assessment of Density Functional Approaches for Carbon Dioxide Dimerization and Solid-State Properties. [PDF]
de Moraes EE.
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The Reactivity of Bispidine Ligand Based Iron(IV) and Iron(V) Oxido Species for the Demethylation of Acetic Acid. [PDF]
Velmurugan G, Comba P.
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Symmetry driven altermagnetic spin splitting in hexagonal CrTe from first principles. [PDF]
Singh R, Huang HL, Lai CH, Jeng HT.
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A Computational Modeling of ADLumin Chemiluminescence: Oxygenation and Dioxetanone Formation. [PDF]
Wickizer C +5 more
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