Exponential localization of hydrogen-like atoms in relativistic quantum electrodynamics

We consider two different models of a hydrogenic atom in a quantized electromagnetic field that treat the electron relativistically. The first one is a no-pair model in the free picture, the second one is given by the semi-relativistic Pauli-Fierz Hamiltonian. We prove that the no-pair operator is semi-bounded below and that its spectral subspaces corresponding to energies below the ionization threshold are exponentially localized. Both results hold true, for arbitrary values of the fine-structure constant, $e^2$, and the ultra-violet cut-off, $\Lambda$, and for all nuclear charges less than the critical charge without radiation field, $Z_c=e^{-2}2/(2/\pi+\pi/2)$. We obtain similar results for the semi-relativistic Pauli-Fierz operator, again for all values of $e^2$ and $\Lambda$ and for nuclear charges less than $e^{-2}2/\pi$.Comment: 37 page

A New Integer Linear Programming Formulation to the Inverse QSAR/QSPR for Acyclic Chemical Compounds Using Skeleton Trees

33rd International Conference on Industrial, Engineering and Other Applications of Applied Intelligent Systems, IEA/AIE 2020, Kitakyushu, Japan, September 22-25, 2020.Computer-aided drug design is one of important application areas of intelligent systems. Recently a novel method has been proposed for inverse QSAR/QSPR using both artificial neural networks (ANN) and mixed integer linear programming (MILP), where inverse QSAR/QSPR is a major approach for drug design. This method consists of two phases: In the first phase, a feature function f is defined so that each chemical compound G is converted into a vector f(G) of several descriptors of G, and a prediction function ψ is constructed with an ANN so that ψ(f(G)) takes a value nearly equal to a given chemical property π for many chemical compounds G in a data set. In the second phase, given a target value y∗ of the chemical property π , a chemical structure G∗ is inferred in the following way. An MILP M is formulated so that M admits a feasible solution (x∗, y∗) if and only if there exist vectors x∗, y∗ and a chemical compound G∗ such that ψ(x∗)=y∗ and f(G∗)=x∗. The method has been implemented for inferring acyclic chemical compounds. In this paper, we propose a new MILP for inferring acyclic chemical compounds by introducing a novel concept, skeleton tree, and conducted computational experiments. The results suggest that the proposed method outperforms the existing method when the diameter of graphs is up to around 6 to 8. For an instance for inferring acyclic chemical compounds with 38 non-hydrogen atoms from C, O and S and diameter 6, our method was 5×104 times faster

Atom-wall dispersive forces: a microscopic approach

We present a study of atom-wall interactions in non-relativistic quantum electrodynamics by functional integral methods. The Feynman-Kac path integral representation is generalized to the case when the particle interacts with a radiation field, providing an additional effective potential that contains all the interactions induced by the field. We show how one can retrieve the standard van der Waals, Casimir-Polder and classical Lifshiftz forces in this formalism for an atom in its ground state. Moreover, when electrostatic interactions are screened in the medium, we find low temperature corrections that are not included in the Lifshitz theory of fluctuating forces and are opposite to them.Comment: 4 figure

One-step isolation and biochemical characterization of a highlyactive plant PSII monomeric core

We describe a one-step detergent solubilization protocol for isolating a highly active form of Photosystem II (PSII) from Pisum sativum L. Detailed characterization of the preparation showed that the complex was a monomer having no light harvesting proteins attached. This core reaction centre complex had, however, a range of low molecular mass intrinsic proteins as well as the chlorophyll binding proteins CP43 and CP47 and the reaction centre proteins D1 and D2. Of particular note was the presence of a stoichiometric level of PsbW, a low molecular weight protein not present in PSII of cyanobacteria. Despite the high oxygen evolution rate, the core complex did not retain the PsbQ extrinsic protein although there was close to a full complement of PsbO and PsbR and partial level of PsbP. However, reconstitution of PsbP and PsbPQ was possible. The presence of PsbP in absence of LHCII and other chlorophyll a/b binding proteins confirms that LHCII proteins are not a strict requirement for the assembly of this extrinsic polypeptide to the PSII core in contrast with the conclusion of Caffarri et al. (2009)

Curated genome annotation of Oryza sativa ssp. japonica and comparative genome analysis with Arabidopsis thaliana

We present here the annotation of the complete genome of rice Oryza sativa L. ssp. japonica cultivar Nipponbare. All functional annotations for proteins and non-protein-coding RNA (npRNA) candidates were manually curated. Functions were identified or inferred in 19,969 (70%) of the proteins, and 131 possible npRNAs (including 58 antisense transcripts) were found. Almost 5000 annotated protein-coding genes were found to be disrupted in insertional mutant lines, which will accelerate future experimental validation of the annotations. The rice loci were determined by using cDNA sequences obtained from rice and other representative cereals. Our conservative estimate based on these loci and an extrapolation suggested that the gene number of rice is ~32,000, which is smaller than previous estimates. We conducted comparative analyses between rice and Arabidopsis thaliana and found that both genomes possessed several lineage-specific genes, which might account for the observed differences between these species, while they had similar sets of predicted functional domains among the protein sequences. A system to control translational efficiency seems to be conserved across large evolutionary distances. Moreover, the evolutionary process of protein-coding genes was examined. Our results suggest that natural selection may have played a role for duplicated genes in both species, so that duplication was suppressed or favored in a manner that depended on the function of a gene

The mass shell in the semi-relativistic Pauli-Fierz model

We consider the semi-relativistic Pauli-Fierz model for a single free electron interacting with the quantized radiation field. Employing a variant of Pizzo's iterative analytic perturbation theory we construct a sequence of ground state eigenprojections of infra-red cutoff, dressing transformed fiber Hamiltonians and prove its convergence, as the cutoff goes to zero. Its limit is the ground state eigenprojection of a certain Hamiltonian unitarily equivalent to a renormalized fiber Hamiltonian acting in a coherent state representation space. The ground state energy is an exactly two-fold degenerate eigenvalue of the renormalized Hamiltonian, while it is not an eigenvalue of the original fiber Hamiltonian unless the total momentum is zero. These results hold true, for total momenta inside a ball about zero of arbitrary radius p>0, provided that the coupling constant is sufficiently small depending on p and the ultra-violet cutoff. Along the way we prove twice continuous differentiability and strict convexity of the ground state energy as a function of the total momentum inside that ball.Comment: 44 page