The determination of the past and the future of a physical system in quantum mechanics

The determination of the past and the future of a physical system are complementary aims of measurements. An optimal determination of the past of a system can be achieved by an informationally complete set of physical quantities. Such a set is always strongly noncommutative. An optimal determination of the future of a physical system can be obtained by a Boolean complete set of quantities. The two aims can be reconciled to a reasonable degree with using unsharp measurements.This work was partly supported by the Bundesministerium für Forschung und Technologie, Bonn, the Research Institute for Theoretical Physics, Helsinki, and the University of Turku Foundation, Turku.     

Coherent States and Number-Phase Uncertainty Relations

The number-phase uncertainty relations arerevisited in view of the recent discovery of a propercovariant phase observable. The high-amplitude limits ofthe coherent-state expectations of the moment operators of the phase observable are determined and thebehavior of the number-phase uncertainty product in thatlimit is investigated.     

Hardy's inequality and the boundary size

We establish a self-improving property of the Hardy inequality and an estimate on the size of the boundary of a domain supporting a Hardy inequality.

     

Mass spectra of halogenated esters. 7. Methyl esters of 2-chloro C2?C20 n-alkanoic acids

The mass spectral fragmentation of a homologous series of methyl esters of 2-chloro n-alkanoic acids ranging from acetic (C₂) to eicosanoic (C₂₀) acid on electron impact has been investigated. The fragmentation pathways were elucidated with the aid of the first field-free region metastable ions, the results being presented with one compound, i.e. with ionized methyl 2-chloro-octauoate. Owing to the Cl/H exchanges and to the formation of the non-chlorinated parent esters prior to the fragmentations the spectra show the peak pairs with and without the chlorine atom. The effects become more evident with increasing chain length; shown most visually by the abundance ratios of the McLafferty rearrangement ions atm/z108/110 and 74, and fragments at m/z121/123 and 87.     

Molecular dynamics simulations of conserved Hox protein hexapeptides. I. Folding behavior in water solution

Molecular dynamics simulations of hexapeptides TFDWMK and LFPWMR; the highly conserved regions of Hox proteins Hox B1 and Hox B8, respectively, are carried out starting from extended structures to investigate their conformational space in water solution. In addition, we have studied TADWMK and TADAMK, where the aromatic residues Phenylalanine and Tryptophan were successively substituted for Alanine to investigate effects from the presence/absence of aromatic amino acids and interactions between them to folding behavior. The backbone of the hexapeptides in all simulations folds to a similar conformation found in experimental studies in solution. Intramolecular, hydrophobically driven interactions between the aromatic residues and internal hydrogen bonds are found to stabilize the conformations.     

Synthesis and catalytic activity of new chiral unsymmetrical Mn(III)-Schiff-base complexes containing salicylaldehyde and 1-(2-hydroxyphenyl)ketone units

Two new chiral unsymmetrical (non-C₂-symmetric) Schiff-base ligands containing salicylaldehyde and 1-(2-hydroxyphenyl)ketone units were synthesized from (R,R)-1,2-diphenylethylenediamine as the chiral diamine using a stepwise approach. The Mn(III) complexes of the ligands were subsequently used as catalysts in asymmetric epoxidation of unfunctionalized alkenes and the results were compared with those obtained using typical C₂-symmetric Mn(III)–salen complexes. Possible reasons for the differences in reactivity and selectivity between the two types of catalysts are briefly discussed.