If the criterion is not fulfilled, the above procedure is repeated for a higher dimension, otherwise it stops and a list is output using only the ranked candidate interactions (see table of scored candidate interactions in Fig. 1).
It could be demonstrated that the procedure fulfilled the demands for application to the homogeneity and isochronous stability studies for the candidate reference materials targeted here.
It is interesting to see that the same density functionals also fulfill the KID procedure for the other descriptors, namely (J_chi), (J_eta), (J_omega), and (J_{D1}), as well as for (J_{omega ^), (J_{omega ^), (J_{Delta omega ^{pm }}), and (J_{D2}).
It can be concluded that this model chemistry [MN12SX/Def2TZVP/SMD (Water)] is the best for fulfilling the KID procedure and for the prediction of the glycating power GP of the carbonyl compounds and could be used for the study of the behavior of larger molecules bearing carbonyl C atoms capable of taking part in the Maillard reaction.
It must be stressed that it was not our intention to perform a gap-fitting by minimizing a descriptor by choosing an optimal range-separation parameter, but to check if the density functionals considered in this study fulfill the KID procedure.
The masking procedures fulfilled the Consolidated Standards of Reporting Trials requirements for a double-masked trial.
All procedures fulfilled the requirements of the German Animal Welfare Act and were approved by the Federal State Office for Consumer Protection and Food Safety of Lower Saxony, Germany (reference number: Az 42502_1).
The Ethics Committee of the teaching hospital of Limoges, France, approved the protocol for all hospitals involved (agreement number 65-2011-11) and waived the need for prior informed consent because the study procedures fulfilled the criteria of a non-interventional study as defined by the French Law [ 17].
Anesthesia charts from 1/01 to 3/01 were analysed retrospectively in alphabetical order until 24 patients had been selected that fulfilled the criteria: (a) isolated CABG procedure; (b) normal left ventricular function, and (c) no need for inotropes during surgery.
All the patients leaving the study will fulfill the described procedures of premature finalization as described in the protocol.
