Melting behaviour in the n-alkanol family. Enthalpy–entropy compensation

Molecular rigidity and enthalpy-entropy compensation in DNA melting.

Enthalpy-entropy compensation (EEC) is observed in diverse molecular binding processes of importance to living systems and manufacturing applications, but this widely occurring phenomenon is not sufficiently understood from a molecular physics standpoint. To gain insight into this fundamental problem, we focus on the melting of double-stranded DNA (dsDNA) since measurements exhibiting EEC are e...

Steric hindrance is not required for n-alkanol cutoff in soluble proteins.

A loss of potency as one ascends a homologous series of compounds (cutoff effect) is often used to map the dimensions of binding sites on a protein target. The implicit assumption of steric hindrance is rarely confirmed with direct binding measurements, yet other mechanisms for cutoff exist. We studied the binding and effect of a series of n-alkanols up to hexadecanol (C16) on two model protein...

Molecular Dynamics Simulation of the Melting Process in Au15Ag40 Nanoalloys

In this study the operations of melting of Au15Ag40 nanoalloy have been studied using the molecular dynamic simulations through the Gupta multiparticle potential and the nonergodicity of simulations is eliminated by the multiple histogram method. The melting characteristics are determined by the analysis of variations in the potential energy. The calculations indicate that the melting of Au15Ag...

Structure and Dynamics of n‐Alkanol Monolayers on a Mica Surface

All-atom molecular dynamics simulations are conducted to understand the structural and dynamical behavior of self-assembled monolayer of n-alkanols on a mica surface. In particular, we report the effect of increasing carbon chain length (C1− C10) on the self-assembly, surface diffusion, and preferential tilting of n-alkanol monolayer, for monolayer surface coverage ranging from 6 × 10−5 to 3.54...

Intramolecular and Lattice Melting in n-Alkane Monolayers: An Analog of Melting in Lipid Bilayers