Results 91 to 100 of about 10,809,308 (293)

A Molecular Electron Density Theory Study of the Chemical Reactivity of Cis- and Trans-Resveratrol

Molecules, 2016
The chemical reactivity of resveratrol isomers with the potential to play a role as inhibitors of the nonenzymatic glycation of amino acids and proteins, both acting as antioxidants and as chelating agents for metallic ions such as Cu, Al and Fe, have ...
Juan Frau, Francisco Muñoz, Daniel Glossman-Mitnik   +2 more
doaj   +1 more source

The VHL tumor suppressor at the crossroad of protein folding, aggregation, and cancer

Molecular Oncology, EarlyView.
Mutations, environmental stress, and chaperone dysfunction can destabilize pVHL, promoting its conversion from the native folded state into amyloid‐like assemblies. This transition may contribute to protein storage, cell dormancy, survival, and drug resistance.
Lara Abad, Silvio Carlo Ermanno Tosatto, Emanuela Leonardi   +2 more
wiley   +1 more source

First-Principles Study on Structural and Chemical Asymmetry of a Biomimetic Water-Splitting Dimanganese Complex

, 2013
Density-functional theory calculations are carried out for a biomimetic dimanganese complex, [H2O(terpy)-Mn-III(mu-O)(2)Mn-IV(terpy)OH2](3+)(1, terpy = 2,2':6',2 ''-terpyridine), which is a structural model for the oxygen evolving center of photosystem ...
Lin, Xiangsong, Zheng, Xiao, Zhou, Ting
core   +1 more source

Regulation of the lncRNA NEAT1 by p53‐ΔNp63 crosstalk modulates the DNA damage response and therapeutic efficacy in HNSCC

Molecular Oncology, EarlyView.
In head and neck squamous cell carcinoma (HNSCC) p53 and p63 exert opposite roles on the transcription regulation of the lncRNA NEAT1. Under basal conditions, p53 levels are low and p63 represses NEAT1 expression. Upon genotoxic stress, p53 is rapidly induced, displacing p63 from the NEAT1 promoter leading to NEAT1 transcriptional activation and ...
Sara De Domenico, Veronica La Banca, Silvia D'Amico, Stefano Scalera, Sara Nicolai, Angelo Peschiaroli   +5 more
wiley   +1 more source

Numerical evaluation of the internal orbitally resolved chemical hardness tensor: Second order chemical reactivity through thermal density functional theory

, 1998
In a previous work we have presented a numerical procedure for the calculation of the internal chemical hardness tensor at the molecular orbital resolution level from standard density functional calculations. In this article we describe an improvement of
Jean M. J. Tronchet, Chermette, Henry, Jacques Weber, Henry Chermette, Grigorov, Martin, Nathalie Vulliermet, Tronchet, Jean Marcel Julien, Martin G. Grigorov, Weber, Jacques, Vulliermet, Nathalie   +9 more
core   +1 more source

Chemical Bonding by the Chemical Orthogonal Space of Reactivity

, 2020
The fashionable Parr–Pearson (PP) atoms-in-molecule/bonding (AIM/AIB) approach for determining the exchanged charge necessary for acquiring an equalized electronegativity within a chemical bond is refined and generalized here by introducing the ...
Mihai V. Putz
core   +1 more source

Seasonal measurements of total OH reactivity emission rates from Norway spruce in 2011 [PDF]

, 2013
Numerous reactive volatile organic compounds (VOCs) are emitted into the atmosphere by vegetation. Most biogenic VOCs are highly reactive towards the atmosphere's most important oxidant, the hydroxyl (OH) radical.
Williams, J., J. Lelieveld, Kesselmeier, Jürgen, Bourtsoukidis, E., J. Kesselmeier, Williams, Jonathan, Nölscher, A., Kesselmeier, J., E. Bourtsoukidis, J. Williams, Nölscher, Anke Christine, Bonn, Boris, Bonn, B., Lelieveld, Johannes, Lelieveld, J., A.C. Nölscher, Bourtsoukidis, Efstratios, B. Bonn   +17 more
core   +2 more sources

On topological properties of block shift and hierarchical hypercube networks

Open Physics, 2018
Networks play an important role in electrical and electronic engineering. It depends on what area of electrical and electronic engineering, for example there is a lot more abstract mathematics in communication theory and signal processing and networking ...
Guirao Juan Luis García, Siddiqui Muhammad Kamran, Hussain Asif   +2 more
doaj   +1 more source

APOBEC3 activity and DNA polymerase‐ε deficiency are associated with distinct IDH1 R132 hotspot mutations

Molecular Oncology, EarlyView.
Isocitrate dehydrogenase 1 (IDH1) mutations are highly recurrent in multiple human cancer types, including cholangiocarcinoma and glioma. IDH1 R132C is the most common IDH1 mutation in cholangiocarcinoma and likely arises from APOBEC3A‐ or APOBEC3B‐mediated deamination.
Kelly E. Butler, Bilal A. Lone, Ecem Unal, A. Rouf Banday   +3 more
wiley   +1 more source

Theory of Chemical Kinetics and Charge Transfer based on Nonequilibrium Thermodynamics

, 2013
Advances in the fields of catalysis and electrochemical energy conversion often involve nanoparticles, which can have kinetics surprisingly different from the bulk material.
Bazant, Martin Z.
core   +1 more source