Exchange interaction and correlations radically change behaviour of a quantum particle in a classically forbidden region

Exchange interaction strongly influences the long-range behaviour of localised electron orbitals and quantum tunneling amplitudes. It violates the oscillation theorem (creates extra nodes) and produces a power-law decay instead of the usual exponential decrease at large distances. For inner orbitals inside molecules decay is $r^{-2}$, for macroscopic systems $\cos{(k_f r)} r^{-\nu}$, where $k_f$ is the Fermi momentum and $\nu=3$ for 1D, $\nu=$3.5 for 2D and $\nu=$4 for 3D crystal. Correlation corrections do not change these conclusions. Slow decay increases the exchange interaction between localized spins and the under-barrier tunneling amplitude. The under-barrier transmission coefficients in solids (e.g. for point contacts) become temperature-dependent

Ultrastructure and localization of Neorickettsia in adult digenean trematodes provides novel insights into helminth-endobacteria interaction

Abstract Background Neorickettsia are a group of intracellular α proteobacteria transmitted by digeneans (Platyhelminthes, Trematoda). These endobacteria can also infect vertebrate hosts of the helminths and cause serious diseases in animals and humans. Neorickettsia have been isolated from infected animals and maintained in cell cultures, and their morphology in mammalian cells has been described. However, limited information is available on the morphology and localization of Neorickettsia in the trematode host. Methods We used a Neorickettsia-infected strain of the model trematode Plagiorchis elegans to infect Syrian Golden hamsters to produce adult worms. Ultrastructure of Neorickettsia was assessed by transmission electron microscopy of high pressure freezing/freeze substitution fixed specimens. A Neorickettsia surface protein from P. elegans (PeNsp-3) was cloned and antibodies against the recombinant protein were used to localize Neorickettsia by immunohistochemistry. Results Ultrastructural analysis revealed moderate numbers of pleomorphic endobacteria with a median size of 600 × 400 nm and characteristic double membranes in various tissue types. Endobacteria showed tubular membrane invaginations and secretion of polymorphic vesicles. Endobacteria were unevenly localized as single cells, or less frequently as small morula-like clusters in the ovary, Mehlis’ gland, vitelline follicles, uterus, intrauterine eggs, testis, cirrus-sac, tegument, intestine and the oral and ventral sucker. Examination of hamster small intestine infected with P. elegans showed many endobacteria at the host-parasite interface such as the oral and ventral sucker, the tegument and the excretory pore. Conclusions We conclude that adult P. elegans trematodes carry Neorickettsia endobacteria in varying numbers in many tissue types that support vertical transmission, trematode to trematode transmission via seminal fluid, and possibly horizontal transmission from trematodes to vertebrate hosts. These means appear to be novel mechanisms of pathogen transmission by endoparasitic worms

Synthesis, X-ray Structures, Electronic Properties, and O\u3csub\u3e2\u3c/sub\u3e/NO Reactivities of Thiol Dioxygenase Active-Site Models

Mononuclear non-heme iron complexes that serve as structural and functional mimics of the thiol dioxygenases (TDOs), cysteine dioxygenase (CDO) and cysteamine dioxygenase (ADO), have been prepared and characterized with crystallographic, spectroscopic, kinetic, and computational methods. The high-spin Fe(II) complexes feature the facially coordinating tris(4,5-diphenyl-1-methylimidazol-2-yl)phosphine (Ph2TIP) ligand that replicates the three histidine (3His) triad of the TDO active sites. Further coordination with bidentate l-cysteine ethyl ester (CysOEt) or cysteamine (CysAm) anions yielded five-coordinate (5C) complexes that resemble the substrate-bound forms of CDO and ADO, respectively. Detailed electronic-structure descriptions of the [Fe(Ph2TIP)(LS,N)]BPh4 complexes, where LS,N = CysOEt (1) or CysAm (2), were generated through a combination of spectroscopic techniques [electronic absorption, magnetic circular dichroism (MCD)] and density functional theory (DFT). Complexes 1 and 2 decompose in the presence of O2 to yield the corresponding sulfinic acid (RSO2H) products, thereby emulating the reactivity of the TDO enzymes and related complexes. Rate constants and activation parameters for the dioxygenation reactions were measured and interpreted with the aid of DFT calculations for O2-bound intermediates. Treatment of the TDO models with nitric oxide (NO)—a well-established surrogate of O2—led to a mixture of high-spin and low-spin {FeNO}7 species at low temperature (−70 °C), as indicated by electron paramagnetic resonance (EPR) spectroscopy. At room temperature, these Fe/NO adducts convert to a common species with EPR and infrared (IR) features typical of cationic dinitrosyl iron complexes (DNICs). To complement these results, parallel spectroscopic, computational, and O2/NO reactivity studies were carried out using previously reported TDO models that feature an anionic hydrotris(3-phenyl-5-methyl-pyrazolyl)borate (Ph,MeTp–) ligand. Though the O2 reactivities of the Ph2TIP- and Ph,MeTp-based complexes are quite similar, the supporting ligand perturbs the energies of Fe 3d-based molecular orbitals and modulates Fe–S bond covalency, suggesting possible rationales for the presence of neutral 3His coordination in CDO and ADO

Embedding variables in finite dimensional models

Global problems associated with the transformation from the Arnowitt, Deser and Misner (ADM) to the Kucha\v{r} variables are studied. Two models are considered: The Friedmann cosmology with scalar matter and the torus sector of the 2+1 gravity. For the Friedmann model, the transformations to the Kucha\v{r} description corresponding to three different popular time coordinates are shown to exist on the whole ADM phase space, which becomes a proper subset of the Kucha\v{r} phase spaces. The 2+1 gravity model is shown to admit a description by embedding variables everywhere, even at the points with additional symmetry. The transformation from the Kucha\v{r} to the ADM description is, however, many-to-one there, and so the two descriptions are inequivalent for this model, too. The most interesting result is that the new constraint surface is free from the conical singularity and the new dynamical equations are linearization stable. However, some residual pathology persists in the Kucha\v{r} description.Comment: Latex 2e, 29 pages, no figure

An Introduction to Conformal Ricci Flow

We introduce a variation of the classical Ricci flow equation that modifies the unit volume constraint of that equation to a scalar curvature constraint. The resulting equations are named the Conformal Ricci Flow Equations because of the role that conformal geometry plays in constraining the scalar curvature. These equations are analogous to the incompressible Navier-Stokes equations of fluid mechanics inasmuch as a conformal pressure arises as a Lagrange multiplier to conformally deform the metric flow so as to maintain the scalar curvature constraint. The equilibrium points are Einstein metrics with a negative Einstein constant and the conformal pressue is shown to be zero at an equilibrium point and strictly positive otherwise. The geometry of the conformal Ricci flow is discussed as well as the remarkable analytic fact that the constraint force does not lose derivatives and thus analytically the conformal Ricci equation is a bounded perturbation of the classical unnormalized Ricci equation. That the constraint force does not lose derivatives is exactly analogous to the fact that the real physical pressure force that occurs in the Navier-Stokes equations is a bounded function of the velocity. Using a nonlinear Trotter product formula, existence and uniqueness of solutions to the conformal Ricci flow equations is proven. Lastly, we discuss potential applications to Perelman's proposed implementation of Hamilton's program to prove Thurston's 3-manifold geometrization conjectures.Comment: 52 pages, 1 figur

A right-handed isotropic medium with a negative refractive index

The sign of the refractive index of any medium is soley determined by the requirement that the propagation of an electromagnetic wave obeys Einstein causality. Our analysis shows that this requirement predicts that the real part of the refractive index may be negative in an isotropic medium even if the electric permittivity and the magnetic permeability are both positive. Such a system may be a route to negative index media at optical frequencies. We also demonstrate that the refractive index may be positive in left-handed media that contain two molecular species where one is in its excited state.Comment: 4.1 pages, 4 figures, submitted to Physical Review Letter

Exchange-assisted tunneling in the classical limit

The exchange interaction and correlations may produce a power-law decay instead of the usual exponential decrease of the wave function under potential barrier. The exchange-assisted tunneling vanishes in the classical limit, however, the dependence on the Planck constant h is different from that for a conventional single-particle tunneling

Estimates of Cl atom concentrations and hydrocarbon kinetic reactivity in surface air at Appledore Island, Maine (USA), during International Consortium for Atmospheric Research on Transport and Transformation/Chemistry of Halogens at the Isles of Shoals

Average hydroxyl radical (OH) to chlorine atom (Cl·) ratios ranging from 45 to 119 were determined from variability‐lifetime relationships for selected nonmethane hydrocarbons (NMHC) in surface air from six different transport sectors arriving at Appledore Island, Maine, during July 2004. Multiplying these ratios by an assumed average OH concentration of 2.5 × 106 cm−3 yielded estimates of Cl· concentrations of 2.2 to 5.6 × 104 cm−3. Summed reaction rates of methane and more than 30 abundant NMHCs with OH and Cl· suggest that Cl· reactions increased the kinetic reactivity of hydrocarbons by 16% to 30% over that due to OH alone in air associated with the various transport sectors. Isoprene and other abundant biogenic alkenes were the most important hydrocarbon contributors after methane to overall kinetic reactivity