98 research outputs found

    Intermolecular Coulombic decay by concerted transfer of energy from photoreceptors to a reaction center

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    Molecular mechanisms that enable concerted transfer of energy from several photoacceptors to a distinct reaction center are most desirable for the utilization of light-energy. Here we show that intermolecular Coulombic decay, a channel which enables non-local disposal of energy in photoexcited molecules, offers an avenue for such a novel energy-transfer mechanism. On irradiation of pyridine-argon gas mixture at 266 nm and at low laser intensities, we observed a surprisingly dominant formation of argon cations. Our measurements on the laser-power dependence of the yield of the Ar cations reveal that intermolecular Coulombic interactions concertedly localize the excitation energy of several photoexcited pyridines at the argon reaction center and ionize it. The density of the reaction center offers an efficient handle to optimize this concerted energy-transfer. This mechanism paves the way for a new π\pi-molecular light-harvesting system, and can also contribute to biomolecular stability against photodamage

    Shape Resonance in Electron Molecule Scattering Using Coupled Cluster Method

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    A numerical study of multi-soliton configurations in a doped antiferromagnetic Mott insulator

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    We evaluate from first principles the self-consistent Hartree-Fock energies for multi-soliton configurations in a doped, spin-1/2, antiferromagnetic Mott insulator on a two-dimensional square lattice. We find that nearest-neighbor Coulomb repulsion stabilizes a regime of charged meron-antimeron vortex soliton pairs over a region of doping from 0.05 to 0.4 holes per site for intermediate coupling 3 < U/t <8. This stabilization is mediated through the generation of ``spin-flux'' in the mean-field antiferromagnetic (AFM) background. Holes cloaked by a meron-vortex in the spin-flux AFM background are charged bosons. Our static Hartree-Fock calculations provide an upper bound on the energy of a finite density of charged vortices. This upper bound is lower than the energy of the corresponding charged stripe configurations. A finite density of charge carrying vortices is shown to produce a large number of unoccupied electronic levels in the Mott-Hubbard charge transfer gap. These levels lead to significant band tailing and a broad mid-infrared band in the optical absorption spectrum as observed experimentally. At very low doping (below 0.05) the doping charges create extremely tightly bound meron-antimeron pairs or even isolated conventional spin-polarons, whereas for very high doping (above 0.4) the spin background itself becomes unstable to formation of a conventional Fermi liquid and the spin-flux mean-field is energetically unfavorable. Our results point to the predominance of a quantum liquid of charged, bosonic, vortex solitons at intermediate coupling and intermediate doping concentrations.Comment: 12 pages, 25 figures; added references, modified/eliminated some figure

    DMD Genotypes and Motor Function in Duchenne Muscular Dystrophy: A Multi-institution Meta-analysis With Implications for Clinical Trials

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    BACKGROUND AND OBJECTIVES: Clinical trials of genotype-targeted treatments in Duchenne muscular dystrophy (DMD) traditionally compare treated patients to untreated patients with the same DMD genotype class. This avoids confounding of drug efficacy by genotype effects but also shrinks the pool of eligible controls, increasing challenges for trial enrollment in this already rare disease. To evaluate the suitability of genotypically unmatched controls in DMD, we quantified effects of genotype class on 1-year changes in motor function endpoints used in clinical trials. METHODS: Over 1,600 patient-years of follow-up (>700 patients) were studied from six real-world/natural history data sources (UZ Leuven, PRO-DMD-01 shared by CureDuchenne, iMDEX, North Star UK, Cincinnati Children's Hospital Medical Center, and the DMD Italian Group), with genotypes classified as amenable to skipping exons 44, 45, 51 or 53, other skippable, nonsense, and other mutations. Associations between genotype class and 1-year changes in North Star Ambulatory Assessment total score (ΔNSAA) and in 10-meter walk/run velocity (Δ10MWR) were studied in each data source with and without adjustment for baseline prognostic factors. RESULTS: The studied genotype classes accounted for approximately 2% of variation in ΔNSAA outcomes after 12 months, whereas other prognostic factors explained >30% of variation in large data sources. Based on a meta-analysis across all data sources, pooled effect estimates for the studied skip-amenable mutation classes were all small in magnitude (<2 units in ΔNSAA total score in 1-year follow up), smaller than clinically important differences in NSAA, and were precisely estimated with standard errors <1 unit after adjusting for non-genotypic prognostic factors. DISCUSSION: These findings suggest viability of trial designs incorporating genotypically mixed or unmatched controls for up to 12 months in duration for motor function outcomes, which would ease recruitment challenges and reduce numbers of patients assigned to placebos. Such trial designs, including multi-genotype platform trials and hybrid designs, should ensure baseline balance between treatment and control groups for the most important prognostic factors, while accounting for small remaining genotype effects quantified in the present study

    Prawn fauna (Crustacea: Decapoda) of India - An annotated checklist of the Penaeoid, Sergestoid, Stenopodid and Caridean prawns

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    Twenty four species of Pandalid shrimps reported from the Indian waters, of which six genera (Chlorotocella, Chlorotocus, Chlorocurtis, Dorodotes, Heterocarpoides and Stylopandalus) are represented by single species each. The genera, Plesionika and Heterocarpus are represented by eleven and seven species respectively. Plesionika adensameri (Balss, 1914) a deep-sea shrimp hitherto unreported from Indian waters is recorded from west coast of India. Information on some biological aspects of few Pandalid shrimps from Indian waters is also reported in the present paper

    Delineation of Diverse Macrophage Activation Programs in Response to Intracellular Parasites and Cytokines

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    Macrophages are a type of immune cell that engulf and digest microorganisms. Despite their role in protecting the host from infection, many pathogens have developed ways to hijack the macrophage and use the cell for their own survival and proliferation. This includes the parasites Trypanosoma cruzi and Leishmania mexicana. In order to gain further understanding of how these pathogens interact with the host macrophage, we compared macrophages that have been infected with these parasites to macrophages that have been stimulated in a number of different ways. Macrophages can be activated by a wide variety of stimuli, including common motifs found on pathogens (known as pathogen associated molecular patterns or PAMPs) and cytokines secreted by other immune cells. In this study, we have delineated the relationships between the macrophage activation programs elicited by a number of cytokines and PAMPs. Furthermore, we have placed the macrophage responses to T. cruzi and L. mexicana into the context of these activation programs, providing a better understanding of the interactions between these pathogens and macrophages

    An Iterative Ab Initio Non-Hermitian Floquet Method for Photoionization Resonances

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    We present an efficient ab initio non-Hermitian Floquet method for computing the photoionization resonances of an electronic system interacting with linearly polarizedmonochromatic laser light. Unlike the direct "brute force" diagonalization method, which has been used for huge Floquet matrix eigenvalue problems, the new method follows a simple iterative process. The computational advantages ofthe iterative method are very remarkable as it avoids computation, storage, and diagonalization of the huge Floquet matrix. The new method can also be used inconjunction with the ab initio computational techniques that were originally developed for the field-free bound state calculations. The method is best illustratedwith the photoionization resonance of the hydrogen atom.<br /
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