Low proficiency does not mean ab initio: A methodological footnote for linguistic transfer studies

AB INITIO QUANTUM CHEMICAL STUDIES IN CTAB

Quaternary ammonium compounds (QACS) are employed both as disinfectants for manual processing lines and surfaces in the food industry, and in human medicine area. QACS also cause cell death by protein denaturation . One of the QAC is cetyl trimethyl ammonium bromide (CTAB) that appears to rapture the cell membrane. The primary site of action of CTAB has been suggested to be the lipid components...

Full employment does not mean low unemployment

Ab Initio Studies of Rotation and Solvent Effects for two important membrane molecules: DPPC and DMPC

DPPC (dipalmitoylphosphatidylcholine) and DMPC (dimyristoylphosphatidylcholine) are taken asphospholipids with an equal polar heads and with the difference in the length of hydrocarbonchains. Results obtain from the structural optimization of the isolated DPPC and DMPC in the gasphase, at the Hartree-Fock level of theory by means of STO-3g,3-21G, 6-31G and 6-31G* basissets. the most important d...

Low carbohydrate does not mean low glycaemic index!

Dumesnil et al. (2001) reported the results of a study from Laval University, Québec, in which overweight men were fed under metabolic ward conditions for 6 d on each of three different test diets. They concluded that: ‘. . . a lowglycaemic index–low-fat–high-protein diet can produce a marked decrease in ad libitum energy intake without increasing hunger or decreasing satiety while having rapid...

Recent ab initio phase diagram studies: Iridium

The phase diagram of iridium is investigated using the Z methodology in conjunction with the VASP ab initiomolecular dynamics package. The Z methodology is a novel technique for phase diagram studies which combines the direct Z method for the computation of melting curves and the inverse Z method for the calculation of solid-solid phase boundaries. We compare our results to the available experi...