S-adenosyl-l-methionine: (S) -7,8,13, 14-tetrahydroberberine--n-methyltransferase, a branch point enzyme in the biosynthesis of benzophenanthridine and protopine alkaloids.

The enzyme which transfers the CH3-group of S-adenosylmethionine to the nitrogen atom of (S)-tetrahydroberberine and (S)-stylopine is found to occur in a number of plant cell cultures originating from species containing alkaloids; it is located at an important branch point in isoquinoline alkaloid biosynthesis

Quasiparticle Self-Consistent GW Theory

In past decades the scientific community has been looking for a reliable first-principles method to predict the electronic structure of solids with high accuracy. Here we present an approach which we call the quasiparticle self-consistent GW approximation (QpscGW). It is based on a kind of self-consistent perturbation theory, where the self-consistency is constructed to minimize the perturbation. We apply it to selections from different classes of materials, including alkali metals, semiconductors, wide band gap insulators, transition metals, transition metal oxides, magnetic insulators, and rare earth compounds. Apart some mild exceptions, the properties are very well described, particularly in weakly correlated cases. Self-consistency dramatically improves agreement with experiment, and is sometimes essential. Discrepancies with experiment are systematic, and can be explained in terms of approximations made.Comment: 12 pages, 3 figure

Many-body Electronic Structure of Metallic alpha-Uranium

We present results for the electronic structure of alpha uranium using a recently developed quasiparticle self-consistent GW method (QSGW). This is the first time that the f-orbital electron-electron interactions in an actinide has been treated by a first-principles method beyond the level of the generalized gradient approximation (GGA) to the local density approximation (LDA). We show that the QSGW approximation predicts an f-level shift upwards of about 0.5 eV with respect to the other metallic s-d states and that there is a significant f-band narrowing when compared to LDA band-structure results. Nonetheless, because of the overall low f-electron occupation number in uranium, ground-state properties and the occupied band structure around the Fermi energy is not significantly affected. The correlations predominate in the unoccupied part of the f states. This provides the first formal justification for the success of LDA and GGA calculations in describing the ground-state properties of this material.Comment: 4 pages, 3 fihgure

Notes on the Hamiltonian formulation of 3D Yang-Mills theory

Three-dimensional Yang-Mills theory is investigated in the Hamiltonian formalism based on the Karabali-Nair variable. A new algorithm is developed to obtain the renormalized Hamiltonian by identifying local counterterms in Lagrangian with the use of fictitious holomorphic symmetry existing in the framework with the KN variable. Our algorithm is totally algebraic and enables one to calculate the ground state wave functional recursively in gauge potentials. In particular, the Gaussian part thus calculated is shown to coincide with that obtained by Leigh et al. Higher-order corrections to the Gaussian part are also discussed.Comment: 26 pages, LaTeX; discussions on IR regulators and local counterterms improved, references adde

Adequacy of Approximations in GW Theory

We use an all-electron implementation of the GW approximation to analyze several possible sources of error in the theory and its implementation. Among these are convergence in the polarization and Green's functions, the dependence of QP levels on choice of basis sets, and differing approximations for dealing with core levels. In all GW calculations presented here, G and W are generated from the local-density approximation (LDA), which we denote as the \GLDA\WLDA approximation. To test its range of validity, the \GLDA\WLDA approximation is applied to a variety of materials systems. We show that for simple sp semiconductors, \GLDA\WLDA always underestimates bandgaps; however, better agreement with experiment is obtained when the self-energy is not renormalized, and we propose a justification for it. Some calculations for Si are compared to pseudopotential-based \GLDA\WLDA calculations, and some aspects of the suitability of pseudopotentials for GW calculations are discussed.Comment: 38 pages,6 figures. Minor Revision

Dynamics of a Generalized Cosmological Scalar-Tensor Theory

A generalized scalar-tensor theory is investigated whose cosmological term depends on both a scalar field and its time derivative. A correspondence with solutions of five-dimensional Space-Time-Matter theory is noted. Analytic solutions are found for the scale factor, scalar field and cosmological term. Models with free parameters of order unity are consistent with recent observational data and could be relevant to both the dark-matter and cosmological-"constant" problems.Comment: 13 page

Alternative formalism to the slave particle mean field theory of the t-J model without deconfinement

An alternative formalism that does not require the assumption of the deconfinement phase of a U(1) gauge field is proposed for the slave particle mean field theory. Starting form the spin-fermion model, a spinon field, which is either fermion or boson, is introduced to represent the localized spin moment. We find a d-wave superconductive state in the mean field theory in the case of the fermion representation of the localized spin moment that corresponds to the slave boson mean field theory of the t-J model, whereas the d-wave superconductive state is absent in case of the Schwinger boson representation of the localized spin moments.Comment: 8 page