Measurement of the Strong Interaction Shift and Width of the Ground State of Pionic Hydrogen

Hyperfine Interactions - An experiment to measure the strong interaction width (Γ1s ) and shift (ε1s ) of the ground state of pionic hydrogen (π?p), in order to determine the...     

A new proof for Rockafellar's characterization of maximal monotone operators

We provide a new and short proof for Rockafellar's characterization of maximal monotone operators in reflexive Banach spaces based on S. Fitzpatrick's function and a technique used by R. S. Burachik and B. F. Svaiter for proving their result on the representation of a maximal monotone operator by convex functions.

     

Field theory of mesoscopic fluctuations in superconductor/normal-metal systems

The thermodynamic and transport properties of normal disordered conductors are strongly influenced by the proximity of a superconductor. A cooperation between mesoscopic coherence and Andreev scattering of particles from the superconductor generates new types of interference phenomena. A field theoretic approach is introduced which is capable of exploring both the averaged properties and mesoscopic fluctuations of superconductor/normal-metal systems. As an example the method is applied to the study of the level statistics of a SNS junction. Pis’ma Zh. éksp. Teor. Fiz. 67, No. 1, 21–26 (10 January 1998) Published in English in the original Russian journal. Edited by Steve Torstveit.     

Probing the glycosidic linkage: UV and IR ion-dip spectroscopy of a lactoside

The beta(1-->4) glycosidic linkage found in lactose is a prevalent structural motif in many carbohydrates and glycoconjugates. Using UV and IR ion-dip spectroscopies to probe benzyl lactoside isolated in the gas phase, we find that the disaccharide unit adopts only a single, rigid structure. Its fully resolved infrared ion-dip spectrum is in excellent agreement with that of the global minimum structure computed ab initio. This has glycosidic torsion angles of phi(H) (H1-C1-O-C4') approximately 180 degrees and psi(H) (C1-O-C4'-H4') approximately 0 degrees which correspond to a rotation of approximately 150 degrees about the glycosidic bond compared to the accepted solution-phase conformation. We discuss the biological implications of this discovery and the generality of the strategies employed in making it.     

The coupled-cluster method with a multiconfiguration reference state

The coupled-cluster approach to obtaining the bond-state wave functions of many-electron systems is extended, with a set of physically reasonable approximations, to admit a multiconfiguration reference state. This extension permits electronic structure calculations to be performed on correlated closed- or open-shell systems with potentially uniform precision for all molecular geometries. Explicit coupled cluster working equations are derived using a multiconfiguration reference state for the case in which the so-called cluster operator is approximated by its one- and two-particle components. The evaluation of the requisite matrix elements is facilitated by use of the unitary group generators which have recently received wide attention and use in the quantum chemistry community.     

Adding water to sugar: a spectroscopic and computational study of alpha- and beta-phenylxyloside in the gas phase

The gas phase structures of phenyl alpha- and beta-d-xylopyranoside (alpha- and beta-pXyl) and their mono-hydrates have been investigated using a combination of resonant two-photon ionization (R2PI), ultra-violet hole-burning and resonant infrared ion dip spectroscopy, coupled with density functional theory (DFT) and ab initio computation. The hole-burning experiments indicate the population of a single conformer only, in each of the two anomers. Their experimental and calculated infrared spectra are both consistent with a conformational assignment corresponding to the computed global minimum configuration. All three OH groups are oriented towards the oxygen atom (O1) on the anomeric carbon atom to form an all trans(ttt) counter-clockwise chain of hydrogen bonds. The mono-hydrates, alpha- and beta-pXyl(H(2)O) each populate two distinct structures in the molecular beam environment, with the water molecule inserted between OH4 and OH3 or between OH3 and OH2 in alpha-pXyl(H2O), and between OH2 and O1 in either of two alternative orientations, in beta-pXyl(H2O). In all of the mono-hydrated xyloside complexes, the water molecule inserts into the weakest link of the sugar molecules' hydrogen-bonded chain of hydroxy groups, creating a single extended chain, strengthened by co-operativity. The all-trans configuration of the xylose moiety is retained and the mono-hydrate structures correspond to those calculated to lie at the lowest relative energies.