this paper presents density functional theory and non-equilibrium green’s function based first principles calculations to explore the sensing property of adenine and thymine based hetero-junction chins for ammonia and phosphine gas molecules. this modeling and simulation technique plays an important and crucial role in the fast growing semiconductor based nanotechnology field. the hetero-juncti...

Sickle cell disease is one of the most common hemoglobinopathy worldwide. It an autosomal recessive genetic disorder caused by replacement adenine to thymine nucleotide in beta chain hemoglobin results valine for glutamic acid at 6th position. This substitution formation sickle (HbS) which turn leads a reduced lifespan red blood cells (RBC). In hypoxic conditions, HbS has tendency aggregate and...

Based on density functional theory (DFT) at the B3LYP level, we investigated interaction of DNA nucleobases with carbon nano-rings in armchair and zigzag shapes. Van der Waals correction was applied to describe long range term bipolar interaction. Results indicate that a net electric charge not transferred between bases nano-rings. This indicates is physical type. Outcomes show following order ...

APOBEC3G is a protein family that interferes with the replication of the HIV virus by altering the genomic sequence of the virus. To combat this, the virus evolves a countermeasure in the form of a protein called Viral Infectivity Factor (vif) binds to APOBEC to reduce its effectiveness. In vitro, dilutions from zero to 1mg of APOBEC3G are injected into HIV infected cells. The cells’ DNA sequen...

Oligonucleotides are indispensable tools in diagnostics, therapeutic applications and molecular biology. The low base pairing strength of thymine with adenine complicates their use. Ethynylpyridone C -nucleoside analogs thymidine that pair more strongly improved selectivity, sequences containing these show target affinity but routine use is hampered by diminished yields solid-phase syntheses th...

Although the immobilization of oligonucleotides (nucleic acid) on mineral surfaces is at basis different biotechnological applications, an atomistic understanding interaction nucleic acid components with titanium dioxide has not yet been achieved. Here, adsorption phosphate anion, four DNA bases (adenine, guanine, thymine, and cytosine) some entire nucleotides dinucleotides TiO2 anatase (1 0 1)...

Four double-headed nucleosides were prepared by the CuAAC reaction. Hereby, a triazole-containing linker connects an additional thymine or adenine to the 2'-position of 2'-deoxyuridine, a thymine to the 5'-position of thymidine and a thymine to the 6'-position of an LNA-thymidine monomer. Whereas no conclusive recognition effects of the additional thymines were found when introduced in LNA or a...

Abstract The current study presents a new class of functional derivatives ( 1–3 ) consisting dicationic viologen (4,4’-bipyridinium unit) V 2+ capped by nucleobases thymine NB 1 ), adenine 2 thymine/adenine , and ion-paired with amphiphilic anion 3,4,5-tris(dodecyloxy)benzene sulfonate DOBS − ). target our work focuses on the design synthesis molecular building blocks in which three different f...

This paper presents Density Functional Theory and Non-Equilibrium Green’s Function based First Principles calculations to explore the sensing property of Adenine and Thymine based hetero-junction chins for Ammonia and Phosphine gas molecules. This modeling and simulation technique plays an important and crucial role in the fast growing semiconductor based nanotechnology field. The hetero-juncti...