Accurate, experimental rotational-vibrational energy levels determined via the MARVEL (Measured Active Rotational-Vibrational Energy Levels) algorithm and published recently for the symmetric-top (14)NH3 molecule in J. Quant. Spectrosc. Radiat. Transfer, 2015, 116, 117-130 are analyzed to unravel the promoting and inhibiting effects of vibrations and rotations on the tunneling splittings of the...

The effect of the box shape on the dynamic behavior of proteins simulated under periodic boundary conditions is evaluated. In particular, the influence of simulation boxes defined by the near-densest lattice packing (NDLP) in conjunction with rotational constraints is compared to that of standard box types without these constraints. Three different proteins of varying size, shape, and secondary...

The ultrafast rotational-diffusive dynamics of the peptide linkage model compounds N-methylacetamide (NMA), acetamide (Ac), and N,N-dimethylacetamide (DMA) have been studied as a function of temperature using optically heterodyne-detected optical Kerr effect (OHD-OKE) spectroscopy. Both NMA and Ac exhibit a non-Arrhenius temperature dependence of the rotational diffusive relaxation time. By con...

Angular distributions of selected rotational states of NO(A S,n50) products obtained in the 213 nm photodissociation of (NO)2 have been determined in a molecular beam by using the photofragment ion imaging technique. Specifically, images of NO(A ,n50) products in N50, 11, and 19 have been recorded, for which the maximum energies available to the NO(X P) products are 2038, 1774, and 1278 cm, res...

The richness of dynamical behavior exhibited by the rotational states of various solar system objects has driven significant advances in the theoretical understanding of their evolutionary histories. An important factor that determines whether a given object is prone to exhibiting non-trivial rotational evolution is the extent to which such an object can maintain a permanent aspheroidal shape, ...

blood pressure rises rapidly upon awakening and maybe responsible, in part, for the increased incidence of myocardial infarction and stroke during the morning hours. the aim of the present study was, therefore, to develop a novel chronotherapeutic formulation of metoprolol tartrate (mt) for night time dosing providing maximum effect in the morning hours. core tablets contained mt, sodium chlori...

Although the principle of using x-rays for diagnostic imaging has been known for a long time, there is still a lot of research and improvements going on in the field. One recent addition to the neuro-vascular imaging system—used for visualizing blood vessels in the brain and guidance of interventions—is 3D rotational angiography (3D-RA). Using 3D-RA, it is possible to view the vessel tree in 3D...

How is binocular motion information integrated in the bilateral network of wide-field motion-sensitive neurons, called lobula plate tangential cells (LPTCs), in the visual system of flies? It is possible to construct an accurate model of this network because a complete picture of synaptic interactions has been experimentally identified. We investigated the cooperative behavior of the network of...

in this study, friction stir spot welding (fssw) is applied to join the tial6v4 titanium alloy with 1.5 mm thickness and then the effect of rotational speed and tool dwell time on microstructure and mechanical properties is investigated. in this regard, the speed of the tool rotation was considered as 800, 1000, and 1200 rpm, as well as the tool dwell time was set at 7 and 12s. microstructural ...