Search results for "Molecular models of DNA"

showing 3 items of 3 documents

Semiempirical calculations on the interaction between dimethyltin(IV) and DNA model system

1999

Abstract The interaction between a dinucleotide triphosphate duplex (DD), mimicking the DNA molecule, and the dimethyltin(IV) cation is studied by the semiempirical PM3 method. The results show that the interaction can occur involving the tin atom and the electron-donor centres of DD, requiring in some cases the presence of water molecules. In particular, the binding of the dimethyltin(IV) moiety with two adjacent phosphate oxygen atoms is allowed by the presence of water molecules coordinating to the tin atom. In this case the tin environment shows a geometry in agreement with 119 Sn Mossbauer and X-ray data.

ChemistryMolecular models of DNAchemistry.chemical_elementequipment and suppliesCondensed Matter PhysicsBiochemistryOrganotin moietychemistry.chemical_compoundCrystallographyOxygen atomSettore CHIM/03 - Chimica Generale E InorganicaComputational chemistryMössbauer spectroscopyDNA modelMoleculeMoietyPM3 calculationPhysical and Theoretical ChemistryTinDNAJournal of Molecular Structure: THEOCHEM
researchProduct

Nonlinear mechanics of DNA doule strand: existence of the compact-envelope bright solitary wave

2013

We study the nonlinear dynamics of a homogeneous DNA chain which is based on site-dependent finite stacking and pairing enthalpies. We introduce an extended nonlinear Schrödinger equation describing the dynamics of modulated wave in DNA model. We obtain envelope bright solitary waves with compact support as a solution. Analytical criteria of existence of this solution are derived. The stability of bright compactons is confirmed by numerical simulations of the exact equations of the lattice. The impact of the finite stacking energy is investigated and we show that some of these compact bright solitary waves are robust, while others decompose very quickly depending on the finite stacking para…

Models MolecularPhysicsStackingExact differential equationMolecular models of DNADNASchrödinger equationsymbols.namesakeNonlinear systemClassical mechanicsNonlinear DynamicsLattice (order)PairingsymbolsNucleic Acid ConformationNonlinear Schrödinger equation2012 Annual International Conference of the IEEE Engineering in Medicine and Biology Society
researchProduct

Compact-envelope bright solitary wave in a DNA double strand

2012

International audience; We study the nonlinear dynamics of a homogeneous DNA chain which is based on site-dependent finite stacking and pairing enthalpies. We introduce an extended nonlinear Schroedinger equation describing the dynamics of modulated waves in DNA model. We obtain envelope bright solitary waves with compact support as a solution. Analytical criteria of existence and stability of this solution are derived. The stability of bright compactons is confirmed by numerical simulations of the exact equations of the lattice. The impact of the fi nite stacking energy is investigated and we show that some of these compact bright solitary waves are very robust, while others decompose quic…

PhysicsModels MolecularStackingMolecular models of DNAExact differential equationDNA01 natural sciences010305 fluids & plasmasNonlinear systemsymbols.namesakeClassical mechanicsModels Chemical[NLIN.NLIN-PS]Nonlinear Sciences [physics]/Pattern Formation and Solitons [nlin.PS]PairingLattice (order)0103 physical sciencessymbolsNucleic Acid ConformationA-DNAComputer Simulation[ NLIN.NLIN-PS ] Nonlinear Sciences [physics]/Pattern Formation and Solitons [nlin.PS]010306 general physicsNonlinear Schrödinger equation
researchProduct