The enthalpies of formation of metastable fee Ag-Cu solid solutions, produced by ball milling of elemental powders, were determined by differential scanning calorimetry. Experimental thermodynamic data for these metastable alloys and for the equilibrium phases are compared with both calculation of phase diagrams (CALPHAD) and atomistic simulation predictions. The atomistic simulations were perf...

The interaction between 6-shogaol, a pharmacologically active ginger constituent, and human serum albumin (HSA), the main in vivo drug transporter, was investigated using isothermal titration calorimetry (ITC). The value of the binding constant, Ka (5.02 ± 1.37 × 104 M−1) obtained for the 6-shogaol–HSA system suggested intermediate affinity. Analysis of the ITC data revealed feasibility of the ...

Wepresent a revised formof the energy balance for the coupled thermodynamics of liquid water flowing in porousmedia and give examples of situations where a commonly used formulation based on transport of enthalpy leads to erroneous results. Assuming negligible contribution from kinetic energy as well as sources and sinks such as energy from radioactive decay, total energy conservation is reduce...

the doping reaction of truncated boron nitride and carbon nanotubes with aluminium atom wastheoretically investigated. the am1, pm3, and pm6 semiempirical methods have been used toevaluate the thermochemistry of doping reactions of single walled boron nitride nanotubes andcarbon nanotubes. the enthalpy changes, gibbs free energy changes, and entropy changes of studieddoping reactions were evalu...

An ab initio method is used in a two state model to calculate consistent relative enthalpies and free energies for the stacking of nucleic acid bases in deoxyribose dinucleotides and the Watson-Crick hydrogen bonding interactions between mononucleotides when uncharged and singly charged. Favorable free energy changes are determined for the formation of dimers between mononucleotides by Watson-C...

Results: A total of 247 plastic surgeons were included. 78.6% cited previous work at least once (mean 34.3 +/87.5 self-citations). These self-citations accounted for 4.8% of all citations. Including self-citations in bibliometric analyses increased h-indices from 9.5 +/6.9 to 10.2 +/7.6. A minority of researchers (20.1%) increased their h-index via self-citation by at least one integer value (r...

This paper investigates the dynamical processes throughwhich the Tibetan Plateau (TP) influences theEast Asian summer monsoon (EASM) within the framework of the moist static energy (MSE) budget, using both observations and atmospheric general circulation model (AGCM) simulations. The focus is on the most prominent feature of the EASM, the so-called meiyu–baiu (MB), which is characterized by a w...

It is known that different amino acid residues have effects on the thermodynamic stability of an alpha-helix. The underlying mechanism for the thermodynamic helical propensity is not well understood. The major accepted hypothesis is the difference in the side-chain configurational entropy loss upon helix formation. However, the changes in the side-chain configurational entropy explain only part...

A general strategy to determine enthalpies of formation of protic ionic liquids, based solely on enthalpy of solution measurements, was conceived and tested for 1-methylimidazolium ethanoate, leading to Δ(f)H°(m){[Hmim][O(2)CCH(3)], 1} = -(425.7 ± 1.2) kJ mol(-1). This result in conjunction with the enthalpy of formation of gaseous 1-methylimidazole (mim) proposed in this work, Δ(f)H°(m)(mim, g...