On the steadiness of separating meandering currents

The existence of inertial steady currents that separate from a coast and meander afterward is investigated. By integrating the zonal momentum equation over a suitable area, it is shown that retroflecting currents cannot be steady in a reduced gravity or in a barotropic model of the ocean. Even friction cannot negate this conclusion. Previous literature on this subject, notably the discrepancy between several articles by Nof and Pichevin on the unsteadiness of retroflecting currents and steady solutions presented in other papers, is critically discussed. For more general separating current systems, a local analysis of the zonal momentum balance shows that given a coastal current with a specific zonal momentum structure, an inertial, steady, separating current is unlikely, and the only analytical solution provided in the literature is shown to be inconsistent. In a basin-wide view of these separating current systems, a scaling analysis reveals that steady separation is impossible when the interior flow is nondissipative (e.g., linear Sverdrup-like). These findings point to the possibility that a large part of the variability in the world’s oceans is due to the separation process rather than to instability of a free jet.

Gas-phase rate coefficients for the reactions of O(3P), S(3P), Se(3P), and Te(3P) with alkenes: application of perturbation frontier molecular orbital theory, correlations, and structure-activity relations (SARs)

The kinetics of the reactions of the atoms O(P-3), S(P-3), Se(P-3), and Te((3)p) with a series of alkenes are examined for correlations relating the logarithms of the rate coefficients to the energies of the highest occupied molecular orbitals (HOMOs) of the alkenes. These correlations may be employed to predict rate coefficients from the calculated HOMO energy of any other alkene of interest. The rate coefficients obtained from the correlations were used to formulate structure-activity relations (SARs) for reactions of O((3)p), S(P-3), Se (P-3), and Te((3)p) with alkenes. A comparison of the values predicted by both the correlations and the SARs with experimental data where they exist allowed us to assess the reliability of our method. We demonstrate the applicability of perturbation frontier molecular orbital theory to gas-phase reactions of these atoms with alkenes. The correlations are apparently not applicable to reactions of C(P-3), Si(P-3), N(S-4), and Al(P-2) atoms with alkenes, a conclusion that could be explained in terms of a different mechanism for reaction of these atoms.

AID enzymatic activity is inversely proportional to the size of cytosine C5 orbital cloud

Activation induced deaminase (AID) deaminates cytosine to uracil, which is required for a functional humoral immune system. Previous work demonstrated, that AID also deaminates 5-methylcytosine (5 mC). Recently, a novel vertebrate modification (5-hydroxymethylcytosine - 5 hmC) has been implicated in functioning in epigenetic reprogramming, yet no molecular pathway explaining the removal of 5 hmC has been identified. AID has been suggested to deaminate 5 hmC, with the 5 hmU product being repaired by base excision repair pathways back to cytosine. Here we demonstrate that AID’s enzymatic activity is inversely proportional to the electron cloud size of C5-cytosine - H . F . methyl .. hydroxymethyl. This makes AID an unlikely candidate to be part of 5 hmC removal.

Voltage-gated potassium currents within the dorsal vagal nucleus: inhibition by BDS toxin

Voltage-gated potassium (Kv) channels are essential components of neuronal excitability. The Kv3.4 channel protein is widely distributed throughout the central nervous system (CNS), where it can form heteromeric or homomeric Kv3 channels. Electrophysiological studies reported here highlight a functional role for this channel protein within neurons of the dorsal vagal nucleus (DVN). Current clamp experiments revealed that blood depressing substance (BDS) and intracellular dialysis of an anti-Kv3.4 antibody prolonged the action potential duration. In addition, a BDS sensitive, voltage-dependent, slowly inactivating outward current was observed in voltage clamp recordings from DVN neurons. Electrical stimulation of the solitary tract evoked EPSPs and IPSPs in DVN neurons and BDS increased the average amplitude and decreased the paired pulse ratio, consistent with a presynaptic site of action. This presynaptic modulation was action potential dependent as revealed by ongoing synaptic activity. Given the role of the Kv3 proteins in shaping neuronal excitability, these data highlight a role for homomeric Kv3.4 channels in spike timing and neurotransmitter release in low frequency firing neurons of the DVN.

Correlation between Fourier series expansion and Hückel orbital theory

The Fourier series can be used to describe periodic phenomena such as the one-dimensional crystal wave function. By the trigonometric treatements in Hückel theory it is shown that Hückel theory is a special case of Fourier series theory. Thus, the conjugated π system is in fact a periodic system. Therefore, it can be explained why such a simple theorem as Hückel theory can be so powerful in organic chemistry. Although it only considers the immediate neighboring interactions, it implicitly takes account of the periodicity in the complete picture where all the interactions are considered. Furthermore, the success of the trigonometric methods in Hückel theory is not accidental, as it based on the fact that Hückel theory is a specific example of the more general method of Fourier series expansion. It is also important for education purposes to expand a specific approach such as Hückel theory into a more general method such as Fourier series expansion.

Mid-Holocene monsoons: a multi-model analysis of the inter-hemispheric differences in the responses to orbital forcing and ocean feedbacks

The response of monsoon circulation in the northern and southern hemisphere to 6 ka orbital forcing has been examined in 17 atmospheric general circulation models and 11 coupled ocean–atmosphere general circulation models. The atmospheric response to increased summer insolation at 6 ka in the northern subtropics strengthens the northern-hemisphere summer monsoons and leads to increased monsoonal precipitation in western North America, northern Africa and China; ocean feedbacks amplify this response and lead to further increase in monsoon precipitation in these three regions. The atmospheric response to reduced summer insolation at 6 ka in the southern subtropics weakens the southern-hemisphere summer monsoons and leads to decreased monsoonal precipitation in northern South America, southern Africa and northern Australia; ocean feedbacks weaken this response so that the decrease in rainfall is smaller than might otherwise be expected. The role of the ocean in monsoonal circulation in other regions is more complex. There is no discernable impact of orbital forcing in the monsoon region of North America in the atmosphere-only simulations but a strong increase in precipitation in the ocean–atmosphere simulations. In contrast, there is a strong atmospheric response to orbital forcing over northern India but ocean feedback reduces the strength of the change in the monsoon although it still remains stronger than today. Although there are differences in magnitude and exact location of regional precipitation changes from model to model, the same basic mechanisms are involved in the oceanic modulation of the response to orbital forcing and this gives rise to a robust ensemble response for each of the monsoon systems. Comparison of simulated and reconstructed changes in regional climate suggest that the coupled ocean–atmosphere simulations produce more realistic changes in the northern-hemisphere monsoons than atmosphere-only simulations, though they underestimate the observed changes in precipitation in all regions. Evaluation of the southern-hemisphere monsoons is limited by lack of quantitative reconstructions, but suggest that model skill in simulating these monsoons is limited.

Tracking the momentum flux of a CME and quantifying its influence on geomagnetically induced currents at Earth

We investigate a coronal mass ejection (CME) propagating toward Earth on 29 March 2011. This event is specifically chosen for its predominately northward directed magnetic field, so that the influence from the momentum flux onto Earth can be isolated. We focus our study on understanding how a small Earth-directed segment propagates. Mass images are created from the white-light cameras onboard STEREO which are also converted into mass height-time maps (mass J-maps). The mass tracks on these J-maps correspond to the sheath region between the CME and its associated shock front as detected by in situ measurements at L1. A time series of mass measurements from the STEREO COR-2A instrument is made along the Earth propagation direction. Qualitatively, this mass time series shows a remarkable resemblance to the L1 in situ density series. The in situ measurements are used as inputs into a three-dimensional (3-D) magnetospheric space weather simulation from the Community Coordinated Modeling Center. These simulations display a sudden compression of the magnetosphere from the large momentum flux at the leading edge of the CME, and predictions are made for the time derivative of the magnetic field (dB/dt) on the ground. The predicted dB/dt values were then compared with the observations from specific equatorially located ground stations and showed notable similarity. This study of the momentum of a CME from the Sun down to its influence on magnetic ground stations on Earth is presented as a preliminary proof of concept, such that future attempts may try to use remote sensing to create density and velocity time series as inputs to magnetospheric simulations.

Simulations of the impact of orbital forcing and ocean on the Asian summer monsoon during the Holocene

The importance of orbital forcing and ocean impact on the Asian summer monsoon in the Holocene is investigated by comparing simulations with a fully coupled ocean–atmosphere general circulation model (FOAM) and with the atmospheric component of this model (FSSTAM) forced with prescribed modern sea-surface temperatures (SSTs). The results show: (1) the ocean amplifies the orbitally-induced increase in African monsoon precipitation, makes somewhat increase in southern India and damps the increase over the southeastern China. (2) The ocean could change the spatial distribution and local intensity of the orbitally-induced latitudinal atmospheric oscillation over the southeastern China and the subtropical western Pacific Ocean. (3) The orbital forcing mostly enhances the Asian summer precipitation in the FOAM and FSSTAM simulations. However, the ocean reduces the orbitally-induced summer precipitation and postpones the time of summer monsoon onset over the Asian monsoon region. (4) The orbital forcing considerably enhances the intensity of upper divergence, which is amplified by ocean further, over the eastern hemisphere. But the divergence is weaker in the FOAM simulations than in the FSSTAM simulations when the orbital forcing is fixed. (5) The orbital forcing can enhance the amplitude of precipitation variability over the subtropical Africa, the southeastern China and northwestern China, inversely, reduce it over central India and North China in the FOAM and FSSTAM simulations. The ocean obviously reduces the amplitude of precipitation variability over most of the Asian monsoon regions in the fixed orbital forcing simulations. (6) The areas characterized by increased summer precipitation in the long-term mean are mostly characterized by increased amplitude of short-term variability, whereas regions characterized by decreased precipitation are primarily characterized by decreased amplitude of short-term variability. However, the influences of orbital forcing or dynamical ocean on regional climate depend on the model.

Intercomparison of simulated global vegetation distribution in response to 6 kyr BP orbital forcing

The response of ten atmospheric general circulation models to orbital forcing at 6 kyr BP has been investigated using the BIOME model, which predicts equilibrium vegetation distribution, as a diagnostic. Several common features emerge: (a) reduced tropical rain forest as a consequence of increased aridity in the equatorial zone, (b) expansion of moisture-demanding vegetation in the Old World subtropics as a consequence of the expansion of the Afro–Asian monsoon, (c) an increase in warm grass/shrub in the Northern Hemisphere continental interiors in response to warming and enhanced aridity, and (d) a northward shift in the tundra–forest boundary in response to a warmer growing season at high northern latitudes. These broadscale features are consistent from model to model, but there are differences in their expression at a regional scale. Vegetation changes associated with monsoon enhancement and high-latitude summer warming are consistent with palaeoenvironmental observations, but the simulated shifts in vegetation belts are too small in both cases. Vegetation changes due to warmer and more arid conditions in the midcontinents of the Northern Hemisphere are consistent with palaeoenvironmental data from North America, but data from Eurasia suggests conditions were wetter at 6 kyr BP than today. The models show quantitatively similar vegetation changes in the intertropical zone, and in the northern and southern extratropics. The small differences among models in the magnitude of the global vegetation response are not related to differences in global or zonal climate averages, but reflect differences in simulated regional features. Regional-scale analyses will therefore be necessary to identify the underlying causes of such differences among models.

Spin polarization, orbital occupation and band gap opening in vanadium dioxide: the effect of screened Hartree–Fock exchange

The metal–insulator transition of VO2 so far has evaded an accurate description by density functional theory. The screened hybrid functional of Heyd, Scuseria and Ernzerhof leads to reasonable solutions for both the low-temperature monoclinic and high-temperature rutile phases only if spin polarization is excluded from the calculations. We explore whether a satisfactory agreement with experiment can be achieved by tuning the fraction of Hartree Fock exchange (a) in the density functional. It is found that two branches of locally stable solutions exist for the rutile phase for 12:5% 6 a 6 20%. One is metallic and has the correct stability as compared to the monoclinic phase, the other is insulating with lower energy than the metallic branch. We discuss these observations based on the V 3d orbital occupations and conclude that a ¼ 10% is the best possible choice for spin-polarized VO2 calculations.

The science case for an orbital mission to Uranus: Exploring the origins and evolution of ice giant planets

Giant planets helped to shape the conditions we see in the Solar System today and they account for more than 99% of the mass of the Sun’s planetary system. They can be subdivided into the Ice Giants (Uranus and Neptune) and the Gas Giants (Jupiter and Saturn), which differ from each other in a number of fundamental ways. Uranus, in particular is the most challenging to our understanding of planetary formation and evolution, with its large obliquity, low self-luminosity, highly asymmetrical internal field, and puzzling internal structure. Uranus also has a rich planetary system consisting of a system of inner natural satellites and complex ring system, five major natural icy satellites, a system of irregular moons with varied dynamical histories, and a highly asymmetrical magnetosphere. Voyager 2 is the only spacecraft to have explored Uranus, with a flyby in 1986, and no mission is currently planned to this enigmatic system. However, a mission to the uranian system would open a new window on the origin and evolution of the Solar System and would provide crucial information on a wide variety of physicochemical processes in our Solar System. These have clear implications for understanding exoplanetary systems. In this paper we describe the science case for an orbital mission to Uranus with an atmospheric entry probe to sample the composition and atmospheric physics in Uranus’ atmosphere. The characteristics of such an orbiter and a strawman scientific payload are described and we discuss the technical challenges for such a mission. This paper is based on a white paper submitted to the European Space Agency’s call for science themes for its large-class mission programme in 2013.