Results 61 to 70 of about 12,411,912 (281)
Molecules, 2019 The characterization of the structure of nitronic esters and their rearrangement into nitronorbornene reactions has been analyzed within the Molecular Electron Density Theory (MEDT) using Density Functional Theory (DFT) calculations at the B3LYP/6-31G(d)
Agnieszka Kącka-Zych
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Mutant p53R273H disrupts PDPK1 homodimerization and contributes to PDPK1 activation
Molecular Oncology, EarlyView.How mutant p53R273H drives AKT signaling is unclear. We show that p53R273H, but not wild‐type, directly binds PDPK1 via a mutation‐dependent conformational change. This interaction disrupts inhibitory PDPK1 homodimerization and enhances AKT phosphorylation.
Mei Chee Lim +11 more
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Electron density and electrostatic potential-based characteristics of molecular plasmons in polyacenes [PDF]
, 2017 Plasmonic modes in single-molecule systems have been previously identified by scaling two-electron interactions while calculating excitation energies [Bernadotte et al., J. Phys. Chem. C, 2013, 117, 1863]. Analysis of transition dipole moments for states
Balanarayan, Pananghat +3 more
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Molecular Electronics: Insight from First-Principles Transport Simulations
CHIMIA, 2010 Conduction properties of nanoscale contacts can be studied using first-principles simulations. Such calculations give insight into details behind the conductance that is not readily available in experiments.
Magnus Paulsson +2 more
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Evaluating the involvement of autolysosomes in the nuclear translocation of fluorescent proteins
FEBS Open Bio, EarlyView.Endogenously expressed fluorescent proteins can be degraded by autophagy and transported to cell nuclei via the nuclear pore complex. But in some cell lines, for example, HeLa cells which are positive for immunoreactivity of a receptor ligand, such as UCN I, in cell nuclei, fusion of autolysosome with the nuclear envelope is involved in the nuclear ...
Keiichi Ikeda
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Flavones’ and Flavonols’ Antiradical Structure–Activity Relationship—A Quantum Chemical Study
Antioxidants, 2020 Flavonoids are known for their antiradical capacity, and this ability is strongly structure-dependent. In this research, the activity of flavones and flavonols in a water solvent was studied with the density functional theory methods.
Maciej Spiegel +2 more
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Ionomycin suppresses cancer cell growth by disrupting mitochondrial transcription
FEBS Open Bio, EarlyView.In this study, we identify a new function for the selective Ca2+ ionophore, ionomycin, as an inhibitor of mitochondrial transcription. Both total and nascent RNA analyses revealed that ionomycin treatment reduces the transcription of mitochondrial genes.
Lishen Wang +10 more
wiley +1 more source
Density functional theory investigations of radical scavenging activity of 3′-Methyl-quercetin
Journal of Saudi Chemical Society, 2016 The possible eight rotamers of 3′-Methyl-quercetin have been optimized by using density functional theory (DFT) at B3LYP/6-31G∗ level of theory. The molecular structure and molecular properties of the most stable rotamers have been investigated at the ...
Abdullah G. Al-Sehemi +3 more
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Protocol for quantifying miRNA trafficking across the endosomal membrane
FEBS Open Bio, EarlyView.An in vitro protocol measures miRNA uptake into endosomes isolated from mammalian cell extracts, which are free of subcellular contaminants. Performed at 37 °C in the presence of ATP, it ensures the import of single‐stranded miRNA into the endosomal lumen.
Syamantak Ghosh +2 more
wiley +1 more source
The electron density: experimental determination and theoretical analysis [PDF]
, 1997 Two related lines of research in experimental electron density determination are reported in this thesis. In the first case, the well-proven and popular multipole modeling technique is applied to three high resolution, single-crystal X-ray diffraction ...
Smith, Gary Thomas
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