Effect of Specific Immunoglobulin E Response and Comorbidities on Effectiveness of MP-AzeFlu in a Real-Life Study

Acknowledgements: We would like to thank the subjects who participated in the trial. Funding Sources: This study was supported by MEDA Pharma GmbH & Co. KG (a Mylan Company), Bad Homburg, Germany. Technical, editorial, and medical writing assistance were provided under the direction of the authors by Strategix, an affiliate of The Lynx Group, LLC. This assistance was supported by MEDA Pharma GmbH & Co. KG (a Mylan Company).Peer reviewedPublisher PD

SURPRISING DONOR-ACCEPTOR PREFERENCES IN ALCOHOL DIMERS: A JET-FTIR STUDY

$^{a}$T. H\""aber, U. Schmitt, M.A. Suhm, Phys. Chem. Chem. Phys. 1 (1999) 5573 $^{b}$T. H\""aber, U. Schmitt, C. Emmeluth, M.A. Suhm, Faraday Discuss. 118 (2001) 331Author Institution: Institut f\""ur Physikalische Chemie, Universit\""at G\""ottingenWhen two alcohol molecules pair to form a hydrogen-bonded dimer, one of them will be the hydrogen bond donor, while the other one acts as the hydrogen bond acceptor. From an energetical standpoint, the preferences are often intuitive and can be confirmed by quantum-chemical calculations. A study of OH-stretching fundamentals for a range of alcohol dimers using the ragout-jet FTIR $technique^{a b}$ reveals surprising deviations from such energetical expectations. Pairings including methanol, ethanol, tert.-butanol, perfluoro-tert.-butanol, phenol, cresols and silanols are presented and possible explanations are discussed. For ethanol dimers, the most strongly shifted OH stretching band persists when Ar is added to the expansion. It is therefore due to the most stable dimer conformations and there is evidence that they involve two gauche monomers, although ethanol monomer prefers the trans conformation

Rotationally resolved infrared spectrum of the Li+_D2 cation complex

The infrared spectrum of mass selected Li +-D 2 cations is recorded in the D-D stretch region (2860-2950 cm -1) in a tandem mass spectrometer by monitoring Li + photofragments. The D-D stretch vibration of Li +-D 2 is shifted by -79 cm -1 from that of the free D 2 molecule indicating that the vibrational excitation of the D 2 subunit strengthens the effective Li +-D 2 intermolecular interaction. Around 100 rovibrational transitions, belonging to parallel K a=0-0, 1-1, and 2-2 subbands, are fitted to a Watson A-reduced Hamiltonian to yield effective molecular parameters. The infrared spectrum shows that the complex consists of a Li + ion attached to a slightly perturbed D 2 molecule with a T-shaped equilibrium configuration and a 2.035 A vibrationally averaged intermolecular separation. Comparisons are made between the spectroscopic data and data obtained from rovibrational calculations using a recent three dimensional Li +-D 2 potential energy surface [R. Martinazzo, G. Tantardini, E. Bodo, and F. Gianturco, J. Chem. Phys. 119, 11241 (2003)]

Infrared spectra of the Li +_(H 2)n(n=1-3) cation complexes

The Li+–(H2)n n = 1–3 complexes are investigated through infrared spectra recorded in the H–H stretch region (3980–4120 cm−1) and through ab initio calculations at the MP2∕aug-cc-pVQZ level. The rotationally resolved H–H stretch band of Li+–H2 is centered at 4053.4 cm−1 [a −108 cm−1 shift from the Q1(0) transition of H2]. The spectrum exhibits rotational substructure consistent with the complex possessing a T-shaped equilibrium geometry, with the Li+ ion attached to a slightly perturbed H2 molecule. Around 100 rovibrational transitions belonging to parallel Ka = 0‐0, 1-1, 2-2, and 3-3 subbands are observed. The Ka = 0‐0 and 1-1 transitions are fitted by a Watson A-reduced Hamiltonian yielding effective molecular parameters. The vibrationally averaged intermolecular separation in the ground vibrational state is estimated as 2.056 Å increasing by 0.004 Å when the H2 subunit is vibrationally excited. The spectroscopic data are compared to results from rovibrational calculations using recent three dimensional Li+–H2 potential energy surfaces [ Martinazzo et al., J. Chem. Phys. 119, 11241 (2003); Kraemer and Špirko, Chem. Phys. 330, 190 (2006) ]. The H–H stretch band of Li+–(H2)2, which is centered at 4055.5 cm−1 also exhibits resolved rovibrational structure. The spectroscopic data along with ab initio calculations support a H2–Li+–H2 geometry, in which the two H2 molecules are disposed on opposite sides of the central Li+ ion. The two equivalent Li+⋯H2 bonds have approximately the same length as the intermolecular bond in Li+–H2. The Li+–(H2)3 cluster is predicted to possess a trigonal structure in which a central Li+ ion is surrounded by three equivalent H2 molecules. Its infrared spectrum features a broad unresolved band centered at 4060 cm−1