Understanding DNA under oxidative stress and sensitization: The role of molecular modeling
DNA is constantly exposed to damaging threats coming from oxidative stress, ie, from the
presence of free radicals and reactive oxygen species. Sensitization from exogenous and …
presence of free radicals and reactive oxygen species. Sensitization from exogenous and …
Structural Insights into the Antiparallel G-Quadruplex in the Presence of K+ and Mg2+ Ions
SD Bali, M Ahsan… - The Journal of Physical …, 2023 - ACS Publications
G-Quadruplex (GQ) is a secondary structural unit of DNA, formed at the telomere region of
the chromosome with a high guanine content. It is reported that the GQs can hinder many …
the chromosome with a high guanine content. It is reported that the GQs can hinder many …
Toward the Ultimate Limit of Analyte Detection, in Graphene-Based Field-Effect Transistors
The ultimate sensitivity of field-effect-transistor (FET)-based devices for ionic species
detection is of great interest, given that such devices are capable of monitoring single …
detection is of great interest, given that such devices are capable of monitoring single …
Molecular balances based on aliphatic CH− π and lone-pair− π interactions
CH··· π and lone-pair··· π interactions are estimated for a series of conformationally dynamic
bicyclic N-aryliimides. On the basis of their strengths and mutual synergy/competition, the …
bicyclic N-aryliimides. On the basis of their strengths and mutual synergy/competition, the …
Exploring non-covalent interactions in guanine-and xanthine-based model DNA quadruplex structures: a comprehensive quantum chemical approach
YP Yurenko, J Novotný, V Sklenář… - Physical Chemistry …, 2014 - pubs.rsc.org
The study aimed to cast light on the structure and internal energetics of guanine-and
xanthine-based model DNA quadruplexes and the physico-chemical nature of the non …
xanthine-based model DNA quadruplexes and the physico-chemical nature of the non …
Diffusion and birefringence of bioactive dyes in a supramolecular guanosine hydrogel
Transparent self‐standing supramolecular hydrogels were readily prepared by the
potassium‐ion‐mediated self‐organization of guanosine and 8‐bromoguanosine whilst the …
potassium‐ion‐mediated self‐organization of guanosine and 8‐bromoguanosine whilst the …
Computational design of concomitant type-I and type-II porphyrin sensitized solar cells
SM Pratik, A Datta - Physical Chemistry Chemical Physics, 2013 - pubs.rsc.org
Structures and electronic properties of porphyrins with various Donor (D)–Acceptor (A)
functionalization adsorbed on TiO2 (anatase) nanoparticles are studied using DFT …
functionalization adsorbed on TiO2 (anatase) nanoparticles are studied using DFT …
What sustains the unnatural base pairs (UBPs) with no hydrogen bonds
S Jahiruddin, A Datta - The Journal of Physical Chemistry B, 2015 - ACS Publications
The recent report of a hydrophobic unnatural base pair (UBP), d5SICS-dNaM, which
replicated in DNA PCR and also sustained and synthesized a plasmid inside E. coli genome …
replicated in DNA PCR and also sustained and synthesized a plasmid inside E. coli genome …
Effect of external electric field on H‐bonding and π‐stacking interactions in guanine aggregates
The structure and electronic properties of guanine oligomers and π stacks of guanine
quartets (G‐quartets) with circulene are investigated under an external field through first …
quartets (G‐quartets) with circulene are investigated under an external field through first …
Mechanistic study for the facile oxidation of trimethoprim on a manganese porphyrin incorporated glassy carbon electrode
The electrocatalysis of [5, 10, 15, 20-tetrakis (4-methoxyphenyl) porphyrinato] Mn (III)
chloride (TMOPPMn (III) Cl) toward the oxidation of trimethoprim was investigated by …
chloride (TMOPPMn (III) Cl) toward the oxidation of trimethoprim was investigated by …