Novel physico-chemical mechanism of the mutagenic tautomerisation of the Watson–Crick-like A·G and C·T DNA base mispairs: a quantum-chemical picture

RSC Advances ◽  
2015 ◽  
Vol 5 (81) ◽  
pp. 66318-66333 ◽  
Author(s):  
Ol’ha O. Brovarets’ ◽  
Dmytro M. Hovorun
Keyword(s):  
Quantum Chemical ◽  
Chemical Mechanism ◽  
Replication Errors ◽  
Dna Base ◽  
Physico Chemical

Novel routes for the mutagenic tautomerisation of the long A·G and short C·T Watson–Crick DNA base mispairs via sequential DPT are reported, pursuing the goal of an estimation of their contribution into spontaneous point replication errors in DNA.

scholarly journals Photochemically induced cyclic morphological dynamics via degradation of autonomously produced, self-assembled polymer vesicles

2021 ◽  
Vol 4 (1) ◽  
Author(s):  
Chenyu Lin ◽  
Sai Krishna Katla ◽  
Juan Pérez-Mercader
Keyword(s):  
Morphological Evolution ◽  
Chemical Degradation ◽  
Chemical Mechanism ◽  
Giant Vesicles ◽  
Water Influx ◽  
Physico Chemical ◽  
Osmotic Water ◽  
Periodic Growth ◽  
Oxygen Conditions ◽  
Self Assembled

AbstractAutonomous and out-of-equilibrium vesicles synthesised from small molecules in a homogeneous aqueous medium are an emerging class of dynamically self-assembled systems with considerable potential for engineering natural life mimics. Here we report on the physico-chemical mechanism behind a dynamic morphological evolution process through which self-assembled polymeric structures autonomously booted from a homogeneous mixture, evolve from micelles to giant vesicles accompanied by periodic growth and implosion cycles when exposed to oxygen under light irradiation. The system however formed nano-objects or gelation under poor oxygen conditions or when heated. We determined the cause to be photoinduced chemical degradation within hydrated polymer cores inducing osmotic water influx and the subsequent morphological dynamics. The process also led to an increase in the population of polymeric objects through system self-replication. This study offers a new path toward the design of chemically self-assembled systems and their potential application in autonomous material artificial simulation of living systems.

PHOSPHONIC ACID MONOLAYERS FOR CORROSION PROTECTION OF COPPER: EQCM AND EIS INVESTIGATIONS

2019 ◽  
Vol 27 (06) ◽  
pp. 1950166
Author(s):  
AYSEL YURT ◽  
ESRA SOLMAZ
Keyword(s):  
Molecular Structure ◽  
Corrosion Protection ◽  
Phosphonic Acid ◽  
Quantum Chemical ◽  
Electrochemical Impedance ◽  
Film Formation ◽  
Copper Surface ◽  
Chemical Mechanism ◽  
Frequency Change ◽  
Phosphonic Acids

Preparation, characterization and application of protective phosphonic acid monolayers formed by 1-Aminohexyl phosphonic acid (AHP), 1,4-butanediphosphonic acid (BDPA), 1-amino-1,3-dimethylbutyl phosphonic acid (ADBP) on copper surface as anticorrosive self-assembled molecular monolayers (SAMs) have been investigated by atomic force microscopy (AFM) analysis, electrochemical impedance spectroscopy (EIS) and in situ electrochemical quartz crystal microbalance (EQCM) techniques. Film formation and growth were monitored by EQCM and the step-by-step construction of monolayer was investigated through measurement of the frequency change, which corresponds to mass change due to the adsorption of molecules. Observed increase in electrode mass suggests that SAMs formed on copper surface by the adsorption of phosphonic acids. Results clearly demonstrate that adsorbed amounts of phosphonic acids were strongly influenced by immersion time and molecular structure. Quantum chemical calculations were performed by semi-empirical PM6 method, in order to explain the relationship between molecular structure and adsorption mechanism. Quantum chemical parameters of phosphonic acids propound that adsorption of molecules on copper surface has a chemical mechanism. Corrosion protection ability of SAMs against the acidic corrosion of copper has been evaluated in 0.1[Formula: see text]M H2SO4 solution. It was found that phosphonic acid SAMs act as protective barrier and the protection efficiencies increased in the following order: [Formula: see text].

Unnatural Covalent DNA Base Pairing:  Quantum Chemical Study

2002 ◽  
Vol 106 (40) ◽  
pp. 9319-9324 ◽  
Author(s):  
Eugene S. Kryachko ◽  
Minh Tho Nguyen
Keyword(s):  
Quantum Chemical ◽  
Quantum Chemical Study ◽  
Chemical Study ◽  
Base Pairing ◽  
Dna Base

scholarly journals Photodynamics of alternative DNA base isoguanine

2019 ◽  
Vol 21 (25) ◽  
pp. 13474-13485 ◽  
Author(s):  
Gregory Gate ◽  
Rafał Szabla ◽  
Michael R. Haggmark ◽  
Jiří Šponer ◽  
Andrzej L. Sobolewski ◽  
...  
Keyword(s):  
Quantum Chemical ◽  
Pump Probe ◽  
Dna Base ◽  
Photochemical Properties

Pump–probe experiments and quantum-chemical simulations of UV-excited isoguanine elucidate its tautomer dependent photochemical properties.

A quantum chemical mechanism for the water-initiated decomposition of silica

2003 ◽  
Vol 27 (1-2) ◽  
pp. 102-108 ◽  
Author(s):  
Janet E. Del Bene ◽  
Keith Runge ◽  
Rodney J. Bartlett
Keyword(s):  
Quantum Chemical ◽  
Chemical Mechanism
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