142 research outputs found

    Electrophysiological Brain-Cardiac Coupling in Train Drivers during Monotonous Driving

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    Electrophysiological research has previously investigated monotony and the cardiac health of drivers independently; however, few studies have explored the association between the two. As such the present study aimed to examine the impact of monotonous train driving (indicated by electroencephalogram (EEG) activity) on an individual's cardiac health as measured by heart rate variability (HRV). Sixty-three train drivers participated in the present study, and were required to complete a monotonous train driver simulator task. During this task, a 32 lead EEG and a three-lead electrocardiogram were recorded from each participant. In the present analysis, the low (LF) and high frequency (HF) HRV parameters were associated with delta (p < 0.05), beta (p = 0.03) and gamma (p < 0.001) frequency EEG variables. Further, total HRV was associated with gamma activity, while sympathovagal balance (i.e., LF:HF ratio) was best associated fronto-temporal delta activity (p = 0.02). HRV and EEG parameters appear to be coupled, with the parameters of the delta and gamma EEG frequency bands potentially being the most important to this coupling. These relationships provide insight into the impact of a monotonous task on the cardiac health of train drivers, and may also be indicative of strategies employed to combat fatigue or engage with the driving task

    Molecular Symmetry Properties of Conical Intersections and Nonadiabatic Coupling Terms: Theory and Quantum Chemical Demonstration for Cyclopenta-2,4-dienimine (C5H4NH)

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    This paper discovers molecular symmetry (MS) properties of conical intersections (CIs) and the related nonadiabatic coupling terms (NACTs) in molecules which allow large amplitude motions such as torsion, in the frame of the relevant molecular symmetry group, focusing on groups with one-dimensional (1-d) irreducible representations (IREPs). If one employs corresponding MS-adapted nuclear coordinates, the NACTs can be classified according to those IREPs. The assignment is supported by theorems which relate the IREPs of different NACTs to each other, and by properties of the NACTs related to the CIs. For example, planar contour integrals of the NACTs evaluated along loops around the individual CIs are equal to +π or -π, depending on the IREP-adapted signs of the NACTs. The + or - signs for the contour integrals may also be used to define the “charges” and IREPs of the CIs. We derive various general molecular symmetry properties of the related NACTs and CIs. These provide useful applications; e.g., the discovery of an individual CI allows one to generate, by means of all molecular symmetry operations, the complete set of CIs at different symmetry-related locations. Also, we show that the seams of CIs with different IREPs may have different topologies in a specific plane of MS-adapted coordinates. Moreover, the IREPs impose symmetrical nodes of the NACTs, and this may support their calculations by quantum chemical ab initio methods, even far away from the CIs. The general approach is demonstrated by application to an example. Specifically, we investigate the CIs and NACTs of cyclopenta-2,4-dienimine (C5H4NH) which has C2V(M) molecular symmetry with 1-d IREPs. The results are confirmed by quantum chemical calculations, starting from the location of a CI based on the Longuet-Higgins phase change theorem, until a proof of self-consistency, i.e., the related symmetryadapted NACTs fulfill quantization rules which have been derived in [Baer, M. Beyond Born-Oppenheimer: Electronic non-Adiabatic Coupling Terms and Conical Intersections; Wiley & Sons Inc.: Hoboken, NJ, 2006].We thank Prof. Lluis Blancafort, Prof. Dietrich Haase, Prof. Yehuda Haas, PD Dr. Dirk Andrae, Mr. Thomas Grohmann, and Ms. Shireen Alfalah for advice and stimulating discussions, and Mr. Dominik Sattler for preparing Figures 1 and 2. This study was supported by the Deutsche Forschungsgemeinschaft in the framework of Project No. MA 515/22-2, and by Fonds der Chemischen Industrie

    Electric-Field-Induced Mott Insulating States in Organic Field-Effect Transistors

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    We consider the possibility that the electrons injected into organic field-effect transistors are strongly correlated. A single layer of acenes can be modelled by a Hubbard Hamiltonian similar to that used for the kappa-(BEDT-TTF)(2)X family of organic superconductors. The injected electrons do not necessarily undergo a transition to a Mott insulator state as they would in bulk crystals when the system is half-filled. We calculate the fillings needed for obtaining insulating states in the framework of the slave-boson theory and in the limit of large Hubbard repulsion, U. We also suggest that these Mott states are unstable above some critical interlayer coupling or long-range Coulomb interaction.Comment: 9 pages, 7 figure

    Ranavirus Host Immunity and Immune Evasion

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    Locating Electronic Degeneracies of Polyatomic Molecules: A General Method for Nonsymmetric Molecules

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    A general method for finding all electronic degeneracies lying on the ground-state potential surface of a molecular system is proposed. The method is based on the idea that the spin pairing of the valence electrons is the major factor determining the topology of the potential surface. The number of different spin-pairing arrangements (anchors) that can be constructed from the constituent atoms determines the number of critical points (minima, transition states) on the ground-state surface. It is shown that whereas the interaction between two states leads in general to an avoided crossing of potential surfaces the interactions in a three-state system (consisting of three anchors) lead in general to a 2-fold degeneracy (conical intersection) and in a four-state system to a 3-fold degeneracy. It is further shown that in a 3D world the highest degree of nonaccidental electronic degeneracy is 3. Since the number of anchors in a polyatomic system can be large, in general numerous 3-fold degeneracies exist in the system, independent of nuclear symmetry. The whole topology of the potential surface can be constructed around the degeneracies since minima and transition states are directly accessible from them via a monotonic declining route. A practical procedure for establishing the approximate structures of the 3-fold degenerate &quot;points&quot; and also those of the more familiar 2-fold degeneracies (conical intersections) is proposed
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