The fluorite-related anion-excess structure of CeN0.222O0.667F1.333: Ordering of defect clusters

This investigation presents the preparation of CeN_0.222O_0.667F_1.333 by a solid-state reaction from a mixture of CeN:CeF₃:CeO₂ = 1:2:1.5 and its structural investigation. The samples were annealed at 900°C in platinum tubes for different times. The basic structure found by powder neutron diffraction is anion-excess fluorite-related. The unit cell is an orthorhombic distortion of the cubic fluorite cell and has the space group Abm2. The lattice constants are a = 577.71(2) pm, B = 572.76(5) pm, and c = 573.32(6) pm. The structure refined by Rietveld analysis shows that [1:0:2]- defect clusters are present. In samples prepared by longer annealing times an ordering of these clusters to larger aggregates, i.e., toward the vernier phases, was observed. This was deduced from full profile analysis without refining a structural model by comparing the instrumental resolution curves of several models.     

Phenylene-Bridged Perylene Monoimides as Acceptors for Organic Solar Cells: A Study on the Structure–Property Relationship

A series of non-fullerene acceptors based on perylene monoimides coupled in the peri position through phenylene linkers were synthesized via Suzuki-coupling reactions. Various substitution patterns were investigated using density functional theory (DFT) calculations in combination with experimental data to elucidate the geometry and their optical and electrochemical properties. Further investigations of the bulk properties with grazing incidence wide angle X-ray scattering (GIWAXS) gave insight into the stacking behavior of the acceptor thin films. Electrochemical and morphological properties correlate with the photovoltaic performance of devices with the polymeric donor PBDB-T and a maximum efficiency of 3.17 % was reached. The study gives detailed information about structure–property relationships of perylene-linker-perylene compounds.     

Loop calculations for the non-commutative U ⋆(1) gauge field model with oscillator term

The European Physical Journal C - Motivated by the success of the non-commutative scalar Grosse–Wulkenhaar model, a non-commutative U ⋆(1) gauge field theory including an...     

Aliphatic hydroxylation and epoxidation of capsaicin by cytochrome P450 CYP505X

Microbial cytochrome P450 enzymes (CYPs) are able to mimic the metabolism of human CYPs. One challenge is to identify the respective drug metabolites and to compare substrate specificities to those of the human enzymes. In this study, a class VIII self-sufficient CYP from Aspergillus fumigatus (CYP505X) and variants of this enzyme were heterologously expressed in E. coli. The substrate scope of the variants was determined using active pharmaceutical ingredients (APIs) and (hetero)cyclic compounds. Capsaicin – the active compound in chili peppers – was oxidized most efficiently (4.36?μM/min) in a whole cell mediated biotransformation. The products were isolated, purified and their structures elucidated by 1D and 2D NMR. The two major metabolites showed modifications on the lipophilic side chain. Specifically, capsaicin was hydroxylated at position 8 to give (E)-8-hydroxy-N-(4-hydroxy-3-methoxybenzyl)-8-methylnon-6-enamide and epoxidized at the double bond to give N-(4-hydroxy-3-methoxybenzyl)-5-(3-isopropyloxiran-2-yl)-pentanamide.     

{(COD)Ru[RNC(H)-C(H)C(Ph)]2} (RMe, Et): The first structurally characterized mononuclear ruthenium complexes with enyl-imino ligands and their relevance in ruthenium catalyzed C-H activation reactions

The reaction of α,β-unsaturated imines with [(1,5-cyclooctadiene)-bis(2-methylallyl)-ruthenium(II)] leads to the formation of mononuclear ruthenium complexes of the general formula {(COD)Ru[RNC(H)-C(H)C(Ph)]₂}. In these complexes the imine ligands are deprotonated in β-position with respect to the imine double bond and coordinate as an enyl-imino ligand. In the case of R = Me, Et the corresponding compounds have been characterized by X-ray crystallography. The relevance of these complexes with respect to ruthenium catalyzed C-C coupling reactions of the same α,β-unsaturated imines is demonstrated by the structural analysis of another mononuclear ruthenium complex in which two imine ligands are reductively coupled (R = Cy). [(1,5-Cyclooctadiene)-bis(2-methylallyl)-ruthenium(II)] also turns out to be a highly effective precatalyst in the reaction of the respective imines with carbon monoxide and ethylene to produce heterocyclic compounds.     

Non-commutative Lorentz symmetry and the origin of the Seiberg–Witten map

We show that the non-commutative Yang–Mills field forms an irreducible representation of the (undeformed) Lie algebra of rigid translations, rotations and dilatations. The non-commutative Yang–Mills action is invariant under combined conformal transformations of the Yang–Mills field and of the non-commutativity parameter . The Seiberg–Witten differential equation results from a covariant splitting of the combined conformal transformations and can be computed as the missing piece to complete a covariant conformal transformation to an invariance of the action. Received: 6 November 2001 / Published online: 5 April 2002     

Noncommutative spin-1/2 representations

In this letter we apply the methods of our previous paper, hep-th/0108045, to noncommutative fermions. We show that the fermions form a spin-1/2 representation of the Lorentz algebra. The covariant splitting of the conformal transformations into a field-dependent part and a -part implies the Seiberg-Witten differential equations for the fermions. Received: 5 December 2001 / Published online: 22 May 2002     

A generalized Slavnov-invariant Abelian Higgs-Kibble model

The supersymmetric structure of the Becchi-Rouet-Stora invariance is used for investigating the Abelian Higgs-Kibble model. It allows for a symmetric photon mass M, in which case a massless scalar state corresponding to the Goldstone model belongs to the physical sector. If M = 0, i.e. the photon mass is generated by the Higgs mechanism, this state is decoupled from the physical sector, as usual. The BPHZ renormalization procedure is used.     

No parity anomaly in massless QED3: A BPHZL approach

In this Letter we call into question the perturbatively parity breakdown at 1-loop for the massless QED₃ frequently claimed in the literature. As long as perturbative quantum field theory is concerned, whether a parity anomaly owing to radiative corrections exists or not shall be definitely proved by using a renormalization method independent of any regularization scheme. Such a problem has been investigated in the framework of BPHZL renormalization method, by adopting the Lowenstein–Zimmermann subtraction scheme. The 1-loop parity-odd contribution to the vacuum-polarization tensor is explicitly computed in the framework of the BPHZL renormalization method. It is shown that a Chern–Simons term is generated at that order induced through the infrared subtractions — which violate parity. We show then that, what is called “parity anomaly”, is in fact a parity-odd counterterm needed for restauring parity.