Quantum mechanical studies of DNA and LNA.

Synthesis and investigation of deoxyribonucleic acid/locked nucleic acid chimeric molecular beacons

To take full advantage of locked nucleic acid (LNA) based molecular beacons (LNA-MBs) for a variety of applications including analysis of complex samples and intracellular monitoring, we have systematically synthesized a series of DNA/LNA chimeric MBs and studied the effect of DNA/LNA ratio in MBs on their thermodynamics, hybridization kinetics, protein binding affinity and enzymatic resistance...

A comparative study about toxicity of CdSe quantum dots on reproductive system development of mice and controlling this toxicity by ZnS coverage

Objective(s):  Medicinal benefits of quantum dots have been proved in recent years but there is little known about their toxicity especially in vivo toxicity. In order to use quantum dots in medical applications, studies ontheir in vivo toxicity is important.  Materials and Methods:CdSe:ZnS quantum dots were injected in 10, 20, and 40 mg/kg doses to male mice10 days later, mice were sacrificed ...

The Quantum Statistical Mechanical Theory of Transport Processes

A new derivation of the quantum Boltzmann transport equation for the Fermion system from the quantum time evolution equation for the wigner distribution function is presented. The method exhibits the origin of the time - irreversibility of the Boltzmann equation. In the present work, the spin dependent and indistinguishibility of particles are also considered.

A quantum-mechanical study on nitro and amino derivatives of 1,2,3,4-tetrazine

Insights into structure, dynamics and hydration of locked nucleic acid (LNA) strand-based duplexes from molecular dynamics simulations

Locked nucleic acid (LNA) is a chemically modified nucleic acid with its sugar ring locked in an RNA-like (C3'-endo) conformation. LNAs show extraordinary thermal stabilities when hybridized with DNA, RNA or LNA itself. We performed molecular dynamics simulations on five isosequential duplexes (LNA-DNA, LNA-LNA, LNA-RNA, RNA-DNA and RNA-RNA) in order to characterize their structure, dynamics an...