As a part of this study, Molinspiration software was used to determine their physicochemical parameters (log P, TPSA, nrotb, molecular weight, number of hydrogen bond donors and acceptors, molecular volume
) for the evaluation of the compliance of the compounds to Lipinski's rule of five.
That product will launch with our next generation of respiratory virus tests, and over time give labs the opportunity to run most of their major molecular volume
on one fully automated, compact instrument.
The free volume theory introduced by Fox and Flory  and Flory  assumes that the volume of a material can be divided into the molecular volume
and the free volume, the volume around each molecule.
The molecular volume
and the molecular weight for the novel analog were 322.38 A3 and 363.15 kD respectively.
[beta] = affinity of the sorbate to the sorbent media relative to the reference compound ([beta] = 1 for the reference compound), and is related to the liquid molecular volume
of the sorbate
Computational methods were used to calculate parameters such as Gibbs free energy, enthalpy, entropy, and molecular volume
. By attaining the measurements of the [PHI] and [PSI] angles, Ramachandran plots were constructed using linear, globular, sheeted and helical protein structures.
Purists will say that DSC is the most accurate way to determine Tg because change in heat flow is a direct indication of a change in free molecular volume
, which is the actual change in the material that affects secondary properties such as expansion coefficients and flexural strength.
In the neutral-pH phosphate-buffered saline solution used here, all one can conclude is that NT-proBNP elutes unexpectedly with a larger molecular volume
than the corresponding globular protein of ~8.5 kDa.
[V.sub.1]: Molecular volume
of solvent ([m.sup.3]/mole);
HASE thickeners differ from HEUR thickeners in that they have a much higher molecular weight, are ionic, and have a lower hydrophobe density (i.e., hydrophobe number per molecular volume
) than HEUR thickeners.
Dividing this by the molecular volume
of liquid water gives it the dimensions of pressure.
FP is used to study molecular interactions by detecting the changes in the effective molecular volume
of fluorescent molecules (17,18).