New mechanism for non-trivial intra-molecular vibrational dynamics

We investigate the time evolution process of one selected (initially prepared by optical pumping) vibrational molecular state S, coupled to all other intra-molecular vibrational states R of the same molecule, and also to its environment Q. Molecular states forming the first reservoir R are characterized by a discrete dense spectrum, whereas the environment reservoir Q states form a continuous spectrum. Assuming the equidistant reservoir R states we find the exact analytical solution of the quantum dynamic equations. S-Q and R-Q couplings yield to spontaneous decay of the S and R states, whereas S-R exchange leads to recurrence cycles and Loschmidt echo at frequencies of S-R transitions and double resonances at the interlevel reservoir R transitions. Due to these couplings the system S time evolution is not reduced to a simple exponential relaxation. We predict various regimes of the system S dynamics, ranging from exponential decay to irregular damped oscillations. Namely, we show that there are possible four dynamic regimes of the evolution: (i) independent of the environment Q exponential decay suppressing backward R - S transitions, (ii) Loschmidt echo regime, (iii) incoherent dynamics with multicomponent Loschmidt echo, when the system state is exchanged its energy with many states of the reservoir, (iv) cycle mixing regime, when long time system dynamics looks as a random-like. We suggest applications of our results for interpretation of femtosecond vibration spectra of large molecules and nano-systems.     

Time dependent gravitational potential in the universe and some consequences

In this paper, assuming a linear change of the gravitational potential V in the universe, i.e. , some consequences are obtained. 1. The Hubble red shift is explained by the potential difference between the considered galaxy long time ago and the observer at this epoch. 2. The anomalous acceleration a _P from the spacecraft Pioneer 10 and 11 [1] is explained. 3. The deformations of the trajectories of planets are studied. It is shown that the planetary orbits are not axially symmetric and the angle from the perihelion to the aphelion is , while the angle from the aphelion to the perihelion is , where is the orbital period. There is no perihelion precession caused by the time dependent gravitational potential V. The quotient of two consecutive orbital periods ₁ and ₂ is equal to This formula is tested for the pulsars B1885+09 and B1534+12, and the results are good.This revised version was published online in April 2005. The publishing date was inserted.     

Non-physical three magnon states of Dyson's Hamiltonian

Non-physical three magnon states at real energy of Dyson's Hamiltonian are found. In the two-, and three-dimensional s.c. lattice these states lie within the physical continuum.     

Crystal field potential of PrOs4Sb12: consequences for superconductivity

The results of inelastic neutron scattering provide a solution for the crystal field level scheme in PrOs4Sb12, in which the ground state in the cubic crystal field potential of T(h) symmetry is a Gamma(1) singlet. The conduction electron mass enhancement is consistent with inelastic exchange scattering, and we propose that inelastic quadrupolar, or aspherical Coulomb, scattering is responsible for enhancing the superconducting transition temperature. PrOs4Sb12 appears to be the first compound in which aspherical Coulomb scattering is strong enough to overcome magnetic pair breaking and increase T(c).     

Emerging molecular diversity from the intra-molecular Ugi reaction: iterative efficiency in medicinal chemistry

This review details a now established area within the isonitrile multi-component reaction (IMCR) field of study, namely employing bi-functional reagents in the Ugi reaction for the construction of screening sets with the additional element or even possibly ‘metric’ of enhanced ‘iterative efficiency potential’ The concept of ‘iterative efficiency’ will be briefly introduced, coupled with discussion on new synthetic routes to select bi-functional IMCR precursors and their use in the generation of pharmacologically relevant ‘molecular diversity’     

SPROM – an efficient program for NMR/MRI simulations of inter- and intra-molecular multiple quantum coherences

A software package has been designed to simulate nuclear magnetic resonance spectra and images. Combining the product operator matrix with the non-linear Bloch equations, the software can efficiently simulate classical and quantum effects including scalar coupling, dipolar coupling, translational diffusion, chemical shift, radiation damping, transverse relaxation, and longitudinal relaxation. One of the most unique features of the software is its ability to incorporate effects of inter- and intra-molecular multiple quantum coherences in complex multiple-spin coupled systems, which are difficult with other existing software packages. The software, written in Visual C++, has a friendly graphical user interface and is easy to use. To cite this article: C. Cai et al., C. R. Physique 9 (2008).     

Study of translational,librational and intra-molecular motion of adsorbed liquid water monolayers at various TiO2 interfaces

Equilibrium classical molecular dynamics (MD) simulations have been performed to investigate the vibrational motion of water in contact with rutile-(110), rutile-(100), rutile-(001), anatase-(101) and anatase-(001) surfaces at room temperature (300?K). The vibrational density of states (VDOS) of the first adsorbed monolayer of liquid water has been analysed for each surface. These have been compared with reported experimental INS values involving rutile and anatase polymorph surfaces, along with ab initio MD results. It is observed that good qualitative agreement is obtained for the rutile-(110) and the anatase-(101) surfaces with the corresponding experimental VDOS. A significant contribution from librational dynamics is found for planar rutile surfaces, but no such demarcation is seen in the experimental VDOS.     

On the consequences of Einstein locality

After some considerations about the equivalence of the objective local theories to the deterministic theories of Bell's type, a simple and systematic way to deduce inequalities from Einstein locality is introduced: All the inequalities deduced by Bell and by other authors, as well as several new ones, are so obtained. Some theorems are proven which show how striking the difference is at small angles between a correlation function satisfying Einstein locality and the quantum mechanical one. Experiments at small angles involve weaker additional assumptions than those used up to now in experimental research on Bell's inequality.     

Some consequences of the vanishing of the triple-pomeronchukon-vertex

Starting with the assumption that the triple-pomeronchukon-vertex vanishes when all three pomeronchukons have zero mass, we show that in the absence of pionization, total cross sections would fall at least logarithmically with energy, while the mean multiplicity would approach a constant. Several reasons are presented to suggest that some pionization must occur and that, otherwise, limiting fragmentation itself would vanish. A secondary result, that the P-P-P′ coupling will also vanish in certain regions, is also proved.     

On the thermoregulatory consequences of NMR imaging

A simple model of physiological thermoregulation has been adapted to predict the thermoregulatory consequences of exposure to the nuclear magnetic resonance (NMR) imaging environment. Based on our knowledge of thermoregulatory processes and how heat is exchanged between a person and the environment, the model can predict physiological heat loss responses in real time as a function of selected ambient temperature (Ta), air movement (v), and rate of whole-body radiofrequency (RF) energy deposition (SAR). Assuming a criterion elevation in deep body temperature (delta Tco) of 0.6 degree C, Ta = 20 degrees C and v = 0.8 m/sec, a 70 kg patient could undergo an NMR exposure of infinite duration at SAR less than or equal to 5 W/kg. Lowering Ta or increasing v permits a rise in permissible SAR for a given delta Tco. More restrictive delta Tco criteria result in lower permissible SARs and shorter exposure durations. The limiting response under all conditions tested was found to be the rate of peripheral blood flow, although sweating played a significant role in preventing excessive delta Tco. Some guidance for the clinical application of the predictions is offered.     

Some astrophysical consequences of the Jordan-Brans-Dicke theory

It is shown that the appearance of a new dimensional constant — the speed of light — in the field equations of the Jordan-Brans-Dicke theory (JBD) makes it possible to construct from the set of constant constructions appearing in the system two with the dimension of energy. This is an indication of the existence of two branches of equilibrium configurations in the JBD theory, which was discovered from numerical calculations by Saakyan and Mnatsakanyan. The problem of the gravitational stability of the cosmological model of the JBD theory is considered. It is shown that the two modes of perturbation evolution obtained differ little from the perturbation modes in the Friedmann model.This article is the result of work performed under the direction of Candidate of Physical and Mathematical Sciences V. I. Bashkov.Translated from Izvestiya Vysshikh Uchebnykh Zavedenii, Fizika, No. 2, pp. 24–27, February, 1982.     

Some consequences of the nonlocalizability of space-time events

Space-time events are characterized by their coordinatesx from the classical point of view. The same events from the quantum-mechanical point of view should be described rather by the expectation value of coordinates X. The expectation value could be evaluated by introducing a density operator(x,x) associated with the event. In the case where(x,x) cannot be described by delta functions strictly monochromatic radiation does not exist. If localizability is limited by Planck's length there are no narrower spectral lines than 2× 10^–29 E ² (eV) whereE stands for the photon energy.On leave from the Institute of Nuclear Physics, Kraków, ul. Radzikowskiego 152, Poland.     

Some phenomenological consequences of the super higgs effect

To the combined system of supergravity ofN=1 and the Higgs multiplet (a scalar multiplet) is coupled a complex scalar multiplet as a simplified representative of the matter. An order-of-magnitude estimate is attempted on the masses and the couplings of the gravitino and other fields.     

Some consequences of exchange degeneracy and the triple-Regge-hypothesis

We extract the proton-Reggeised rho total cross-section from inclusive data for K⁺ + p → K⁰ + (anything) in the triple-Regge domain and find that it is of the same order as physical meson-proton cross-sections for a range of Reggeon mass. We also relate other processes such as pp→pX and K⁺p→K⁺X to K⁺p→K⁰X, and get good agreement with data. We suggest methods for calculating baryon exchange processes as well.     

Determination of distance of intra-molecular hydrogen bonding in (Ala-Gly)15 with silk I form after removal of the effect of MAS frequency in REDOR experiment

It is important to know the structure of silk I (Bombyx mori silk structure before spinning in the solid state) in order to understand the mechanism of fiber formation at the atomic level. In this study, 15N-dephased, 13C-observe REDOR has been carried out to determine the atomic distance of intra-molecular hydrogen bond between the 13C=O carbon of the 14th Gly residue and the 15N nitrogen of the 17th Ala residue of (AG)(6)A[1-13C]GAG[15N]AG(AG)(6) with silk I form after removal of the effect of MAS frequency on the re-coupling. The distance was determined to be 4.3A, which confirmed the intra-molecular hydrogen bonding formation between these two atomic sites.     

Experimental consequences of massless quarks

We calculate the Bjorken scaling function for νσ_L/σ_T in the light-cone algebra with no order 1/ν corrections to scaling of νW₂. Quarks are then massless, and polarized electroproduction is suppressed by a power of ω at large ω.     

Further consequences of Einstein locality

The results of a previous paper for the properties of the correlation functionP() at small angles following from Einstein locality are extended to the general case whereP(0)–1. Experimental investigations are suggested to check the validity of some theorems on the behavior of the correlation functionP() which are deduced directly from Einstein locality.