Nonadiabatic Effects on Peptide Vibrational Dynamics Induced by Conformational Changes

Quantum dynamical simulations of vibrational spectroscopy have been carried out for glycine dipeptide (CH3-CO-NH-CH2-CO-NH-CH3). Conformational structure and dynamics are modeled in terms of the two Ramachandran dihedral angles of the molecular backbone. Potential energy surfaces and harmonic frequencies are obtained from electronic structure calculations at the density functional theory (B3LYP/6-31+G(d)) level. The ordering of the energetically most stable isomers (C7 and C5) is reversed upon inclusion of the quantum mechanical zero point vibrational energy. Vibrational spectra of various isomers show distinct differences, mainly in the region of the amide modes, thereby relating conformational structures and vibrational spectra. Conformational dynamics is modeled by propagation of quantum mechanical wave packets. Assuming a directed energy transfer to the torsional degrees of freedom, transitions between the C7 and C5 minimum energy structures occur on a sub-picosecond timescale (700 ... 800 fs). Vibrationally non-adiabatic effects are investigated for the case of the coupled, fundamentally excited amide I states. Using a two state-two mode model, the resulting wave packet dynamics is found to be strongly non-adiabatic due to the presence of a seam of the two potential energy surfaces. Initially prepared adiabatic vibrational states decay upon conformational change on a timescale of 200 ... 500 fs with population transfer of more than 50 % between the coupled amide I states. Also the vibrational energy transport between localized (excitonic) amide I vibrational states is strongly influenced by torsional dynamics of the molecular backbone where both enhanced and reduced decay rates are found. All these observations should allow the detection of conformational changes by means of time-dependent vibrational spectroscopy

Archeops, mapping the CMB sky from large to small angular scales

Archeops is a balloon-borne experiment designed to measure the temperature fluctuations of the CMB on a large region of the sky ($\simeq 30$) with a high angular resolution (10 arcminutes) and a high sensitivity ($60\mu K$ per pixel). Archeops will perform a measurement of the CMB anisotropies power spectrum from large angular scales ($\ell\simeq 30$) to small angular scales ($\ell \simeq 800$). Archeops flew for the first time for a test flight in July 1999 from Sicily to Spain and the first scientific flight took place from Sweden to Russia in January 2001. The data analysis is on its way and I present here preliminary results, realistic simulations showing the expected accuracy on the measurement of the power spectrum and perspectives for the incoming flights (Winter 2001/2003).Comment: 6 pages, 6 figures, proceedings to TAUP2001 conference, LNGS, Italy, Sept. 200

QCD at non-zero chemical potential and temperature from the lattice

A study of QCD at non-zero chemical potential, mu, and temperature, T, is performed using the lattice technique. The transition temperature (between the confined and deconfined phases) is determined as a function of mu and is found to be in agreement with other work. In addition the variation of the pressure and energy density with mu is obtained for small positive mu. These results are of particular relevance for heavy-ion collision experiments.Comment: Invited paper presented at the Joint Workshop on Physics at the Japanese Hadron Facility, March 2002, Adelaide. 10 pages, uses ws-procs9x6.cls style file (provided

Motional sidebands and direct measurement of the cooling rate in the resonance fluorescence of a single trapped ion

Resonance fluorescence of a single trapped ion is spectrally analyzed using a heterodyne technique. Motional sidebands due to the oscillation of the ion in the harmonic trap potential are observed in the fluorescence spectrum. From the width of the sidebands the cooling rate is obtained and found to be in agreement with the theoretical prediction.Comment: 4 pages, 4 figures. Final version after minor changes, 1 figure replaced; to be published in PRL, July 10, 200

On Hausdorff dimension of the set of closed orbits for a cylindrical transformation

We deal with Besicovitch's problem of existence of discrete orbits for transitive cylindrical transformations $T_\varphi:(x,t)\mapsto(x+\alpha,t+\varphi(x))$ where $Tx=x+\alpha$ is an irrational rotation on the circle \T and \varphi:\T\to\R is continuous, i.e.\ we try to estimate how big can be the set D(\alpha,\varphi):=\{x\in\T:|\varphi^{(n)}(x)|\to+\infty\text{as}|n|\to+\infty\}. We show that for almost every $\alpha$ there exists $\varphi$ such that the Hausdorff dimension of $D(\alpha,\varphi)$ is at least $1/2$. We also provide a Diophantine condition on $\alpha$ that guarantees the existence of $\varphi$ such that the dimension of $D(\alpha,\varphi)$ is positive. Finally, for some multidimensional rotations $T$ on \T^d, $d\geq3$, we construct smooth $\varphi$ so that the Hausdorff dimension of $D(\alpha,\varphi)$ is positive.Comment: 32 pages, 1 figur

Exciton-magnon transitions in the frustrated chromium antiferromagnets CuCrO2, alpha-CaCr2O4, CdCr2O4, and ZnCr2O4

We report on optical transmission spectroscopy of the Cr-based frustrated triangular antiferromagnets CuCrO2 and alpha-CaCr2O4, and the spinels CdCr2O4 and ZnCr2O4 in the near-infrared to visible-light frequency range. We explore the possibility to search for spin correlations far above the magnetic ordering temperature and for anomalies in the magnon lifetime in the magnetically ordered state by probing exciton-magnon sidebands of the spin-forbidden crystal-field transitions of the Cr3+ ions (spin S = 3/2). In CuCrO2 and alpha-CaCr2O4 the appearance of fine structures below T_N is assigned to magnon sidebands by comparison with neutron scattering results. The temperature dependence of the line width of the most intense sidebands in both compounds can be described by an Arrhenius law. For CuCrO2 the sideband associated with the 4A2 -> 2T2 transition can be observed even above T_N. Its line width does not show a kink at the magnetic ordering temperature and can alternatively be described by a Z2 vortex scenario proposed previously for similar materials. The exciton-magnon features in alpha-CaCr2O4 are more complex due to the orthorhombic distortion. While for CdCr2O4 magnon sidebands are identified below T_N and one sideband excitation is found to persist across the magnetic ordering transition, only a weak fine structure related to magnetic ordering has been observed in ZnCr2O4.Comment: 14 pages, 10 figures, all comments are welcome and appreciated, accepted for publication in PR

Global monitoring of tropospheric water vapor with GPS radio occultation aboard CHAMP

The paper deals with application of GPS radio occultation (RO) measurements aboard CHAMP for the retrieval of tropospheric water vapor profiles. The GPS RO technique provides a powerful tool for atmospheric sounding which requires no calibration, is not affected by clouds, aerosols or precipitation, and provides an almost uniform global coverage. We briefly overview data processing and retrieval of vertical refractivity, temperature and water vapor profiles from GPS RO observations. CHAMP RO data are available since 2001 with up to 200 high resolution atmospheric profiles per day. Global validation of CHAMP water vapor profiles with radiosonde data reveals a bias of about 0.2 g/kg and a standard deviation of less than 1 g/kg specific humidity in the lower troposphere. We demonstrate potentials of CHAMP RO retrievals for monitoring the mean tropospheric water vapor distribution on a global scale.Comment: 7 pages, 4 figure

Cold Trapped Ions as Quantum Information Processors

In this tutorial we review physical implementation of quantum computing using a system of cold trapped ions. We discuss systematically all the aspects for making the implementation possible. Firstly, we go through the loading and confining of atomic ions in the linear Paul trap, then we describe the collective vibrational motion of trapped ions. Further, we discuss interactions of the ions with a laser beam. We treat the interactions in the travelling-wave and standing-wave configuration for dipole and quadrupole transitions. We review different types of laser cooling techniques associated with trapped ions. We address Doppler cooling, sideband cooling in and beyond the Lamb-Dicke limit, sympathetic cooling and laser cooling using electromagnetically induced transparency. After that we discuss the problem of state detection using the electron shelving method. Then quantum gates are described. We introduce single-qubit rotations, two-qubit controlled-NOT and multi-qubit controlled-NOT gates. We also comment on more advanced multi-qubit logic gates. We describe how quantum logic networks may be used for the synthesis of arbitrary pure quantum states. Finally, we discuss the speed of quantum gates and we also give some numerical estimations for them. A discussion of dynamics on off-resonant transitions associated with a qualitative estimation of the weak coupling regime and of the Lamb-Dicke regime is included in Appendix.Comment: 44 revtex pages, 23 figures, to appear in Journal of Modern Optic

Sympathetic ground state cooling and coherent manipulation with two-ion-crystals

We have cooled a two-ion-crystal to the ground state of its collective modes of motion. Laser cooling, more specific resolved sideband cooling is performed sympathetically by illuminating only one of the two $^{40}$Ca$^+$ ions in the crystal. The heating rates of the motional modes of the crystal in our linear trap have been measured, and we found them considerably smaller than those previously reported by Q. Turchette {\em et. al.} Phys. Rev. A 61, 063418 (2000) in the case of trapped $^9$Be$^+$ ions. After the ground state is prepared, coherent quantum state manipulation of the atomic population can be performed. Within the coherence time, up to 12 Rabi oscillations are observed, showing that many coherent manipulations can be achieved. Coherent excitation of each ion individually and ground state cooling are important tools for the realization of quantum information processing in ion traps