Results 101 to 110 of about 10,809,308 (293)
Local Temperature as a Chemical Reactivity Descriptor
, 2021 Using the electron density and its associated quantities in a molecular system to quantify chemical reactivity in density functional theory is of considerable recent interest. Local temperature based on the kinetic energy density is an intrinsic property
Rong, Chunying +5 more
core +1 more source
Molecular Oncology, EarlyView.The kinase SRPK1 directly interacts with the protein TOPBP1 and regulates the pre‐mRNA splicing of WIZ thereby contributing to the activation of the ATR/CHK1 replicative checkpoint in response to replicative stress. This allows cancer cells' genomic stability and survival.
Amani Shreim +17 more
wiley +1 more source
Optimizing photoactivation of PA‐mCherry for optical pooled CRISPR screens
FEBS Open Bio, EarlyView.Photoactivatable PA‐mCherry finds widespread use to optically tag individual cells. However, confocal 405 nm UV laser‐scanning (normal scan) is much less efficient than widefield UV illumination, limiting the use of PA‐mCherry on confocal instruments. We remedy this limitation by reporting that rapid and repeated confocal scanning with a low‐intensity,
Sravasti Mukherjee +3 more
wiley +1 more source
Chemical Reactivity through Structure-Stability Landscape
, 2014 International audienceThe reactivity descriptors like electronegativity, hardness, and electrophilicity, formulated on conceptual density functional theory can explain chemical reactivity of various acids and bases, oxidants and reductants as well as ...
Das, Ranjita +2 more
core +1 more source
Results in ChemistryBackground: Triazole fungicides, such as triadimefon (TF) and its stereoisomeric metabolite, triadimenol (TN), remain cornerstone agrochemicals. However, their stereochemistry may affect shape reactivity, intermolecular recognition, and ecotoxicity in ...
Áureo B. Souza +8 more
doaj +1 more source
Frontiers in Chemistry, 2018 This computational study assessed eight fixed RSH (range-separated hybrid) density functionals that include CAM-B3LYP, LC-ωPBE, M11, MN12SX, N12SX, ωB97, ωB97X, and ωB97XD related to the Def2TZVP basis sets together with the SMD solvation model in the ...
Juan Frau +2 more
doaj +1 more source
FEBS Open Bio, EarlyView.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
wiley +1 more source
A THEORY OF CHEMICAL REACTIVITY. CALCULATION OF RATES OF REACTIONS AND EQUILIBRIUM CONSTANTS. [PDF]
Journal of the American Chemical Society, 1921 n ...
openaire +1 more source
FEBS Open Bio, EarlyView.Drugs previously repurposed to target blood cancers reduced neuroblastoma and glioblastoma cell growth and viability. However, their levels of anticancer activity were different and their clinical application may be problematic due to side effects at effective doses.
Abhishek Kharawatkar +4 more
wiley +1 more source
Quantum Entanglement and Chemical Reactivity
, 2015 The water molecule and a hydrogenic abstraction reaction are used to explore in detail some quantum entanglement features of chemical interest. We illustrate that the energetic and quantum-information approaches are necessary for a full understanding of ...
R. O. Esquivel (1487608) +3 more
core +1 more source