Fluorescence markers in some New Zealand honeys.
Auckland, New Zealand. In Food Chem, Mar 2016
Two excitation-emission (ex-em) marker wavelengths each for manuka and kanuka honeys were identified; manuka honey at 270-365 (MM1) and 330-470 (MM2) nm and kanuka honey at 275-305 (KM1) and 445-525 (KM2) nm.
Conformational Interconversions of Amino Acid Derivatives.
Praha, Czech Republic. In J Chem Theory Comput, Feb 2016
The performance of eight empirical force fields (AMBER94, AMBER14SB, MM2, MM3, MMFFs, CHARMM22_CMAP, OPLS_2005, and AMOEBAPRO13) in reproducing ab initio energies of transition states was tested.
Prodrugs design based on inter- and intramolecular chemical processes.
Potenza, Italy. In Chem Biol Drug Des, 2013
The computational approach exploited for the prodrug design involves molecular orbital and molecular mechanics (DFT, ab initio, and MM2) calculations and correlations between experimental and calculated values of intramolecular processes that were experimentally studied to assign the factors determining the reaction rates in certain processes for better understanding on how enzymes might exert their extraordinary catalysis.
The future of prodrugs - design by quantum mechanics methods.
Jerusalem, Israel. In Expert Opin Drug Deliv, 2013
The tool used in the design is a computational approach consisting of calculations using molecular orbital and molecular mechanics methods (DFT, ab initio and MM2) and correlations between experimental and calculated values of intramolecular processes that were used to understand the mechanism by which enzymes might exert their high rates catalysis.
Łódź, Poland. In Adv Exp Med Biol, 2011
The combination of PrP(Sc) peptide (either 21 kDa or 19 kDa) and the status of the codon 129 of the gene (PRNP) encoding for PrP (either Methionine or Valine) is used to classify sCJD into 6 types: MM1 and MV1, the most common; VV2; MV2 (Brownell/Oppenheimer syndrome); MM2; VV1 and sporadic fatal insomnia, in that order of prevalence.