487 research outputs found

    Comparing periodic-orbit theory to perturbation theory in the asymmetric infinite square well

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    An infinite square well with a discontinuous step is one of the simplest systems to exhibit non-Newtonian ray-splitting periodic orbits in the semiclassical limit. This system is analyzed using both time-independent perturbation theory (PT) and periodic-orbit theory and the approximate formulas for the energy eigenvalues derived from these two approaches are compared. The periodic orbits of the system can be divided into classes according to how many times they reflect from the potential step. Different classes of orbits contribute to different orders of PT. The dominant term in the second-order PT correction is due to non-Newtonian orbits that reflect from the step exactly once. In the limit in which PT converges the periodic-orbit theory results agree with those of PT, but outside of this limit the periodic-orbit theory gives much more accurate results for energies above the potential step.Comment: 22 pages, 2 figures, 2 tables, submitted to Physical Review

    Dynamics of quantum systems

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    A relation between the eigenvalues of an effective Hamilton operator and the poles of the SS matrix is derived which holds for isolated as well as for overlapping resonance states. The system may be a many-particle quantum system with two-body forces between the constituents or it may be a quantum billiard without any two-body forces. Avoided crossings of discrete states as well as of resonance states are traced back to the existence of branch points in the complex plane. Under certain conditions, these branch points appear as double poles of the SS matrix. They influence the dynamics of open as well as of closed quantum systems. The dynamics of the two-level system is studied in detail analytically as well as numerically.Comment: 21 pages 7 figure

    Changes in Floquet state structure at avoided crossings: delocalization and harmonic generation

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    Avoided crossings are common in the quasienergy spectra of strongly driven nonlinear quantum wells. In this paper we examine the sinusoidally driven particle in a square potential well to show that avoided crossings can alter the structure of Floquet states in this system. Two types of avoided crossings are identified: on type leads only to temporary changes (as a function of driving field strength) in Floquet state structure while the second type can lead to permanent delocalization of the Floquet states. Radiation spectra from these latter states show significant increase in high harmonic generation as the system passes through the avoided crossing.Comment: 8 pages with 10 figures submitted to Physical Review

    Interaction and Localization of One-electron Orbitals in an Organic Molecule: Fictitious Parameter Analysis for Multi-physics Simulations

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    We present a new methodology to analyze complicated multi-physics simulations by introducing a fictitious parameter. Using the method, we study quantum mechanical aspects of an organic molecule in water. The simulation is variationally constructed from the ab initio molecular orbital method and the classical statistical mechanics with the fictitious parameter representing the coupling strength between solute and solvent. We obtain a number of one-electron orbital energies of the solute molecule derived from the Hartree-Fock approximation, and eigenvalue-statistical analysis developed in the study of nonintegrable systems is applied to them. Based on the results, we analyze localization properties of the electronic wavefunctions under the influence of the solvent.Comment: 4 pages, 5 figures, the revised version will appear in J. Phys. Soc. Jpn. Vol.76 (No.1

    Antimicrobial activity and brine shrimp toxicity of extracts of Terminalia brownii roots and stem

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    BACKGROUND: Ternimalia brownii Fresen (Combretaceae) is widely used in traditional medicine to treat bacterial, fungal and viral infections. There is a need to evaluate extracts of this plant in order to provide scientific proof for it's wide application in traditional medicine system. METHODS: Extraction of stem bark, wood and whole roots of T. brownii using solvents of increasing polarity, namely, Pet ether, dichloromethane, dichloromethane: methanol (1:1), methanol and aqua, respectively, afforded dry extracts. The extracts were tested for antifungal and antibacterial activity and for brine shrimp toxicity test. RESULTS: Extracts of the stem bark, wood and whole roots of T. brownii exhibited antibacterial activity against standard strains of Staphylococcus aureus, Escherichia coli, Pseudomonas aeruginosa, Klebsiella pneumoniae, Salmonella typhi, and Bacillus anthracis and the fungi, Candida albicans and Cryptococcus neoformans. Aqueous extracts exhibited the strongest activity against both bacteria and fungi. Extracts of the roots and stem bark exhibited relatively mild cytotoxic activity against brine shrimp larvae with LC(50 )values ranging from 113.75–4356.76 and 36.12–1458.81 μg/ml, respectively. The stem wood extracts exhibited the highest toxicity against the shrimps (LC(50 )values 2.58–14.88 μg/ml), while that of cyclophosphamide, a standard anticancer drug, was 16.33 (10.60–25.15) μg/ml. CONCLUSION: These test results support traditional medicinal use of, especially, aqueous extracts for the treatment of conditions such as diarrhea, and gonorrhea. The brine shrimp results depict the general trend among plants of the genus Terminalia, which are known to contain cytotoxic compounds such as hydrolysable tannins. These results warrant follow-up through bioassay-directed isolation of the active principles

    Pathogenic variants in the paired-related homeobox 1 gene (PRRX1) cause craniosynostosis with incomplete penetrance

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    Purpose Studies previously implicated PRRX1 in craniofacial development, including demonstration of murine Prrx1 expression in the pre-osteogenic cells of the cranial sutures. We investigated the role of heterozygous missense and loss-of-function variants in PRRX1 associated with craniosynostosis. Methods Trio-based genome, exome or targeted sequencing were used to screen PRRX1 in patients with craniosynostosis; immunofluorescence analyses were used to assess nuclear localization of wild-type and mutant proteins. Results Genome sequencing identified 2 of 9 sporadically affected individuals with syndromic/multisuture craniosynostosis who were heterozygous for rare/undescribed variants in PRRX1. Exome or targeted sequencing of PRRX1 revealed a further 9/1449 patients with craniosynostosis harboring deletions or rare heterozygous variants within the homeodomain. By collaboration, seven additional individuals (four families) were identified with putatively pathogenic PRRX1 variants. Immunofluorescence analyses showed that missense variants within the PRRX1 homeodomain cause abnormal nuclear localization. Of patients with variants considered likely pathogenic, bicoronal or other multi-suture synostosis was present in 11/17 (65% of the cases). Pathogenic variants were inherited from unaffected relatives in many instances, yielding a 12.5% penetrance estimate for craniosynostosis. Conclusion This work supports a key role for PRRX1 in cranial suture development and shows that haploinsufficiency of PRRX1 is a relatively frequent cause of craniosynostosis
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