Ionizing radiation alters DNA strands and mainly creates multiply damaged sites (MDS), e.g. two or more damaged sites within one or two turns of the DNA (10 to 20 base pairs). The thermodynamic behavior of DNA duplexes vary due to the altered stability induced by these lesions. In this work, we used the unrestrained molecular dynamics and thermodynamic integration free energy calculation method...

background: rna plays key role in many aspects of biological processes and its tertiary structure is critical for its biological function. rna secondary structure represents various significant portions of rna tertiary structure. since the biological function of rna is concluded indirectly from its primary structure, it would be important to analyze the relations between the rna sequences and t...

beginning with a discussion of energy and exergy analysis definitions, the presented study provides a descriptive mathematical model for energy and exergy analysis for a co-current gas cooling tower. for this purpose using conservation laws of mass, energy and momentum, the variation of temperature and enthalpy of gas and liquid streams are predicted along the tower length and are used in order...

Due to the necessity of using highly efficient power generation systems to reduce fuel consumption and air pollution, the integration of different energy systems is promising modification to achieve higher efficiency. In this paper, the integration of an Internal Reforming Solid Oxide Fuel Cell (IRSOFC)-Gas Turbine (GT)-Organic Rankine Cycle (ORC) system has been proposed. In this regard, therm...

The diffusion path and diffusivity of oxygen in crystalline silicon are computed using an empirical interatomic potential which was recently developed [1] for modelling the interactions between oxygen and silicon atoms. The diffusion path is determined by constrained energy minimization, and the diffusivity is computed using jump rate theory. The calculated diffusivity D=0.025 exp(-2.43eV/k B T...

some new symmetrical tetraaza schiff base ligands containing 2-quinolinecarboxaldehyde moiety formed from condensation reaction of 2-quinolinecarboxaldehyde and o-phenylenediamine derivatives, such as n, nˊ-bis(2-quinolylmethylidene)-4-methoxy-1, 2-phenylenediimine (l1), n, nˊ-bis(2-quinolylmethylidene)-4-methy-1, 2-phenylenediimine (l2), n, nˊ-bis(2-quinolylmethylidene)-4-chloro-1, 2-phenylene...

the solubility of naproxen in binary mixtures of polyethylene glycol 200 (peg 200) + water at the temperature range from 298.0 k to 318.0 k were reported. the combinations of jouyban-acree model + van’t hoff and jouyban-acree model + partial solubility parameters were used to predict the solubility of naproxen in peg 200 + water mixtures at different temperatures. combination of jouyban-acree m...