Sentence examples for charges of compounds from inspiring English sources

Supplemental methods and tables of data collection and refinement statistics for the X-ray crystallographic studies, additional analysis of the PT155 and PT03 ternary complex structures, additional analysis of the open to closed transition, and partial charges of compounds.

The atomic charges of each compound in the compound library were determined by the Gasteiger method (Gasteiger and Marsili 1978; Gasteiger and Marsili 1980).

The reason for the decreased clearance of the dimers is yet not clear and it might be an effect of the higher negative charge of these compounds or may be influenced by serum protein binding.

Attempts to inhibit OGT in cells appeared unsuccessful, probably due to the size/negative charge of the compounds.

For calculating energy curves, we applied the hybrid density functional theory; the atomic charges of the test compounds were calculated based on the restricted electrostatic potential method.

Finally we report our studies on the effective charges of the above compounds, following the quantum dielectric theory of Phillips and Van Vechten, which will be very much helpful for explaining the complex dielectric behaviour of these crystals.

A majority voting rule (Step 3) is therefore applied to select one of the possible mappings, which is accepted only if the chemical formulae and charges of the two compounds also match (disregarding protonation state) and they share a common name or synonym (Step 4, 'Validate mapping using secondary evidence').

The oxidation numbers of all the atoms in a compound must add up to the charge of that compound.

This is a good way to check your work - if the oxidation in your compounds don't add up to the charge of your compound, you know that you have assigned one or more incorrectly.

First, you'll determine the oxidation of every other atom in the compound, then you'll simply solve for the unknown based on the overall charge of the compound.

The beneficial effects of hyaluronan were partially dependent on the positive charge of the compound.