Hydration effects on the structural properties and haem–haem interaction in haemoglobin

Valid molecular dynamics simulations of human hemoglobin require a surprisingly large box size

“…( Szabo and Karplus, 1972 ) Also, the local ion concentration has an indirect influence by modulating the water activity, which in turn affects allosteric regulation of Hb. ( Salvay et al, 2003 ) The ion diffusivity changes from 2.1 to cm /s for simulations in the 75 to 150 Å boxes which also reflects the increased diffusivity of the bulk water molecules with increasing box size, see Figure 4A . The average number of ions within a 20 Å sphere around the center of mass of Hb is 9.6 (75 Å), 8.5 (90 Å), 8.7 (120 Å), and 9.8 (150 Å).…”

Development of innovative biodegradable films based on biomass of Saccharomyces cerevisiae

“…This may be due to the fact that films are constituted from biomacromolecules denatured by heat treatment at 90°C. It has been reported that for proteins previously denatured, the complete drying does not produce remarkable effects of irreversibility and hysteresis on water sorption isotherms (Salvay et al, 2003).…”

“…Finally, k is a factor related to sorption heat multilayer (Eim, Rosselló, Femenia, & Simal, 2011) and represents the capability of water to bind to the multilayer (Salvay, Colombo, & Grigera, 2003). 2.8.3.2.…”

“…The samples were removed at specific intervals of time and weighed for data collection. The water content h as function of time t was fitted with a first order kinetics model, using a biexponential function that take account two rates for water uptake (Salvay et al, 2003):…”

A survey of the 2001 to 2005 quartz crystal microbalance biosensor literature: applications of acoustic physics to the analysis of biomolecular interactions

“…The ability of QCM to monitor viscoelastic changes in a molecule has been exploited to study the kinetic profile of absorption and associated conformational change of lysozyme on various surfaces (Shen et al, 2001), the role of hydration on the mechanism of allosteric regulation by in situ measurements of the oxygen-linked kinetics of water binding to haemoglobin (Salvay et al, 2003a(Salvay et al, , 2003b) and the density of protein (Voros, 2004) and peptide (Zhi and Haynie, 2004) layers subject to partial denaturation. QCM was used in the study of the coiled-coil protein motif, which occurs in over 200 proteins and which is of particular interest for a range of applications requiring surface immobilization of the constituent peptides (Stevens et al, 2004).…”