101 research outputs found

    Thermodynamically consistent Reference Interaction Site Model theory of the tangent diatomic fluid

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    Thermodynamic and structural properties of the tangent diatomic fluid are studied in the framework provided by the Reference Interaction Site Model (RISM) theory, coupled with a Modified Hypernetted Chain closure. The enforcement of the internal thermodynamic consistency of the theory is described in detail. The results we obtain almost quantitatively agree with available or newly generated simulation data. We envisage the possibility to extend the consistent RISM formalism to generic, more realistic molecular fluids.Comment: Typeset with LaTeX, 6 pages, 3 figures (5 subfigures), 28 references, submitted to Chem. Phys. Let

    Life with John

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    Life with John is a 15-minute fiction film about a married couple, Peter and Elena, whose lives are disturbed when Peter's imaginary friend John comes to stay in their small apartment. Having hosted similar visitors in the past, Elena decides to play along and pretends that John is real. However, as John's stay prolongs itself, the lines between what's real and what's imaginary begin to blur, until the point where Elena begins to doubt her own sense of reality. The film combines elements of dark comedy and psychological thriller to explore ideas around the differences in people's perceptions of reality, but also around long-term relationships and alienation from self. Life with John aims to be a battlefield of perceptions, one that illustrates how mental differences lead to people inhabiting very different worlds

    Continuum percolation of simple fluids: Energetic connectivity criteria

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    During the last few years, a number of works in computer simulation have focused on the clustering and percolation properties of simple fluids based in an energetic connectivity criterion proposed long ago by T.L. Hill [J. Chem. Phys. 23, 617 (1955)]. This connectivity criterion appears to be the most appropriate in the study of gas-liquid phase transition. So far, integral equation theories have relayed on a velocity-averaged version of this criterion. We show, by using molecular dynamics simulations, that this average strongly overestimates percolation densities in the Lennard-Jones fluid making unreliable any prediction based on it. Additionally, we use a recently developed integral equation theory [Phys. Rev. E 61, R6067 (2000)] to show how this velocity-average can be overcome.Comment: 14 pages, 2 figure

    Self Consistent Molecular Field Theory for Packing in Classical Liquids

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    Building on a quasi-chemical formulation of solution theory, this paper proposes a self consistent molecular field theory for packing problems in classical liquids, and tests the theoretical predictions for the excess chemical potential of the hard sphere fluid. Results are given for the self consistent molecular fields obtained, and for the probabilities of occupancy of a molecular observation volume. For this system, the excess chemical potential predicted is as accurate as the most accurate prior theories, particularly the scaled particle (Percus-Yevick compressibility) theory. It is argued that the present approach is particularly simple, and should provide a basis for a molecular-scale description of more complex solutions.Comment: 6 pages and 5 figure

    Electricity generation Using a hybridized zeolite adsorption heatpump and heat engine

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    © 2020 The Authors. Published by the Canadian Center of Science and Education. This is an open access article available under a Creative Commons licence. The published version can be accessed at the following link on the publisher’s website: https://doi.org/10.5539/apr.v12n4p75The use of adsorption in Thermal Energy Storage has gained considerable research interest of late. Some applications have focused on the use of TES for transformation of low temperature heat in applications such as cooling and heating. Zeolite and water have been studied as suitable materials. Their characteristics as environmentally friendly materials and high affinity makes them conspicuous. The unique properties of zeolites to hold adsorbed water/heat with very minimal loss is also significant. With the aid of a dynamo, a Stirling engine as heat engine and the adsorption energy storage system serving as heat pump was used to generate electricity. The relationship between electricity generation and temperature was investigated. The obtained average temperature and pressure of the zeolite - water adsorption heat pump was also compared with the basic adsorption cycle

    Betibeglogene Autotemcel Gene Therapy for Non-β⁰/β⁰ Genotype β-Thalassemia

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    BACKGROUND: Betibeglogene autotemcel (beti-cel) gene therapy for transfusion-dependent β-thalassemia contains autologous CD34+ hematopoietic stem cells and progenitor cells transduced with the BB305 lentiviral vector encoding the β-globin (βA-T87Q) gene. METHODS: In this open-label, phase 3 study, we evaluated the efficacy and safety of beti-cel in adult and pediatric patients with transfusion-dependent β-thalassemia and a non-β0/β0 genotype. Patients underwent myeloablation with busulfan (with doses adjusted on the basis of pharmacokinetic analysis) and received beti-cel intravenously. The primary end point was transfusion independence (i.e., a weighted average hemoglobin level of ≥9 g per deciliter without red-cell transfusions for ≥12 months). RESULTS: A total of 23 patients were enrolled and received treatment, with a median follow-up of 29.5 months (range, 13.0 to 48.2). Transfusion independence occurred in 20 of 22 patients who could be evaluated (91%), including 6 of 7 patients (86%) who were younger than 12 years of age. The average hemoglobin level during transfusion independence was 11.7 g per deciliter (range, 9.5 to 12.8). Twelve months after beti-cel infusion, the median level of gene therapy-derived adult hemoglobin (HbA) with a T87Q amino acid substitution (HbAT87Q) was 8.7 g per deciliter (range, 5.2 to 10.6) in patients who had transfusion independence. The safety profile of beti-cel was consistent with that of busulfan-based myeloablation. Four patients had at least one adverse event that was considered by the investigators to be related or possibly related to beti-cel; all events were nonserious except for thrombocytopenia (in 1 patient). No cases of cancer were observed. CONCLUSIONS: Treatment with beti-cel resulted in a sustained HbAT87Q level and a total hemoglobin level that was high enough to enable transfusion independence in most patients with a non-β0/β0 genotype, including those younger than 12 years of age. (Funded by Bluebird Bio; HGB-207 ClinicalTrials.gov number, NCT02906202.)
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