a theoretical study of the kinetic and mechanism of 3-aug-cope rearrangement in gas phase was performed usingdet methods at b3lyp levels of theory with 6-3114ig(d,p) bass set at 298.i5k. equilibrium moleculargeometries and harmonic vibrational frequencies of the reactant, transition state did product were calculated. then,rate constant and activation thermodynamics parameters were calculated an...

Amyloid fibrils form in supersaturated solutions via a nucleation and growth mechanism. Although the structural features of amyloid fibrils have become increasingly clearer, knowledge on the thermodynamics of fibrillation is limited. Furthermore, protein aggregation is not a target of calorimetry, one of the most powerful approaches used to study proteins. Here, with β2-microglobulin, a protein...

The holographic principle states that the information about a volume of a system is encoded on the boundary surface of the volume. Holography appears in many branches of physics, such as optics, electromagnetism, many-body physics, quantum gravity, and string theory. Here we show that holography is also an underlying principle in thermodynamics, a most important foundation of physics. The therm...

There exists a set of striking similarities between the laws governing the equilibrium mechanics of stationary black holes and the classical laws of thermodynamics. While the full development of this relationship requires the use of quantum field theory, the connection between thermodynamics and black hole mechanics is evident even in the framework of classical general relativity. This paper pr...

Thermodynamics second law and ω = −1 crossing(s) in interacting holographic dark energy model Abstract By the assumption that the thermodynamics second law is valid, we study the possibility of ω = −1 crossing in an interacting holographic dark energy model. Depending on the choice of the horizon and the interaction, the transition from quintessence to phantom regime and subsequently from phant...

human serum albumin (hsa) is the most abundant protein in the blood plasma. drug binding to hsa is crucial to study the absorption, distribution, metabolism, efficiency and bioavailability of drug molecules. in this study, isothermal titration calorimetry and molecular dynamics simulation of hsa and its complex with indometacin (im) were performed to investigate thermodynamics parameters and th...