A reparameterization of the torsional parameters for the glycosidic dihedral angle, chi, for the AMBER99 force field in RNA nucleosides is used to provide a modified force field, AMBER99chi. Molecular dynamics simulations of cytidine, uridine, adenosine, and guanosine in aqueous solution using the AMBER99 and AMBER99chi force fields are compared with NMR results. For each nucleoside and force f...

The origin of the pseudogap region below a temperature T* is at the heart of the mysteries of cuprate high-temperature superconductors. Unusual properties of the pseudogap phase, such as broken time-reversal and inversion symmetry are observed in several symmetry-sensitive experiments: polarized neutron diffraction, optical birefringence, dichroic angle-resolved photoemission spectroscopy, seco...

Conformational entropy (SΩ) has long been used to theoretically characterize the dynamics of proteins, DNA, and other polymers. Though recent advances enabled its calculation also from simulations and nuclear magnetic resonance (NMR) relaxation experiments, correlated molecular motion has hitherto greatly hindered both numerical and experimental determination, requiring demanding empirical and ...

During the past 30 years, research in general relativity has brought to light strong hints of a very deep and fundamental relationship between gravitation, thermodynamics, and quantum theory. The most striking indication of such a relationship comes from black hole thermodynamics, where it appears that certain laws of black hole mechanics are, in fact, simply the ordinary laws of thermodynamics...

Quantum thermodynamics addresses the emergence of thermodynamic laws from quantum mechanics. The viewpoint advocated is based on the intimate connection of quantum thermodynamics with the theory of open quantum systems. Quantum mechanics inserts dynamics into thermodynamics, giving a sound foundation to finite-time-thermodynamics. The emergence of the 0-law, I-law, II-law and III-law of thermod...

In a ground-interacting nuclear explosion, elements derived from environmental and anthropogenic material, such as iron, silicon, aluminum, can be incorporated into the fireball. When significant amounts of metals are entrained, resulting melt may display immiscible textures. The composition these textures is record temperature formation cooling rates (or thermodynamic stability) melts provide ...

conclusions the study results showed that by increasing the initial dye concentration and contact time, the adsorption capacity increased, as well. moreover, the thermodynamic parameters (δh °, δg °, and δs °) revealed the endothermic sorption of rr-198 onto mwcnts. results the rr-198 absorption rates were 33.26 and 222.88 mg/g, respectively for 20, and 200 mg/l dye concentration, at ph of 3, 6...

the adsorption thermodynamic characteristic of cu2+ from aqueous solution onto humin andalso humic acid from a typical black soil in northeast china were examined at three different temperatures(298, 318 and 338 k) by batch isotherm experiments. results showed that humin was structurally differentfrom humic acid. the increase of temperature had a positive effect on the adsorption process. freun...