“Hydroxy Protons in Structural Analysis of Carbohydrates by NMR Spectroscopy and Computational Methods” S. Bekiroglu, Doctoral thesis, 2003. ISBN 91-576-6442-0 This thesis describes the use of hydroxy protons in structural analysis of carbohydrates in aqueous solution by NMR spectroscopy. For aqueous solutions of carbohydrates, using H2O as the solvent of choice instead of D2O makes it possible...

The measurement and comparison of the magnetic moment (or g-factor) of the proton and antiproton provide a stringent experimental test of the CPT-theorem in the baryonic sector [1]. We set up an experiment for the first selfcontained and direct high-precision measurement of the gfactor of a single isolated proton stored in a Penning trap [2]. In previous experiments the g-factor was determined ...

The paper deals with the implications of shift reagents in organic chemistry in several broad areas. First, the relative binding affinities of common functional groups to shift reagents are considered, and it is shown that such knowledge aids the analysis of the shifted spectra of polyfunctional molecules and (by extension of the principles involved) isotopically substituted molecules. Secondly...

We have previously clarified that the strongly electron-withdrawing CF3 group nicely affected base-mediated proton shift of CF3-containing propargylic or allylic alcohols to afford corresponding α,β-unsaturated saturated ketones, respectively, which was applied this time Claisen rearrangement after O-allylation with a group, followed by isomerization allyl vinyl ethers via shift, enabling desir...

The contribution of virtual excitations to the energy levels of electronic and muonic hydrogen is investigated combining a model-independent approach for the main part with quark model predictions for the remaining corrections. Precise values for the polarization shifts are obtained in the long-wavelength dipole approximation by numerically integrating over measured total photoabsorption cross ...

Proton transfer plays an important role in the optical properties of green fluorescent protein (GFP). While much is known about excited-state proton transfer reactions (ESPT) in GFP occurring on ultrafast time scales, comparatively little is understood about the factors governing the rates and pathways of ground-state proton transfer. We have utilized a specific isotopic labeling strategy in co...

Residue ionization states were calculated in nine crystal structures of bacteriorhodopsin trapped in bR, early M, and late M states by multiconformation continuum electrostatics. This combines continuum electrostatics and molecular mechanics, deriving equilibrium distributions of ionization states and polar residue and water positions. The three central cluster groups [retinal Schiff base (SB),...

Interactions within proteins, with their surrounding, and with other molecules are mediated mostly by hydrogen atoms. In fully protonated, inhomogeneous, or larger proteins, however, aliphatic proton shifts tend to show little dispersion despite fast Magic-Angle Spinning. 3D correlations dispersing aliphatic proton shifts by their better resolved amide N/H shifts can alleviate this problem. Usi...

Introduction: Recently, an approach exploiting the proton therapy biological enhancement by using Boron atoms injected inside a tumor, has been proposed. Three alpha particles with an average energy around 4MeV are emitted from the point of reaction between a proton and boron. In addition, the 719 keV prompt gamma emitted by the proton Boron fusion reactions can be used for on-...

Several imidazole derivatives bearing titratable charged groups adjacent to the imidazole ring have been studied by nuclear magnetic resonance. Curves relating the chemical shift values of the C-2 and C-4 ring proton resonance signals of these compounds to the solvent pH have been examined. These curves clearly demonstrate effects corresponding to the titration of the neighboring charged groups...