Search Results (6)

This work systematically examines the interactions between a single argon atom and the edges and faces of cyclic H${}_2$O clusters containing three–five water molecules (Ar(H${}_2$O)${}_{n=3–5}$). Full geometry optimizations and subsequent harmonic vibrational frequency computations were performed using MP2 with a triple-$\zeta$ correlation consistent basis set augmented with diffuse functions on the heavy atoms (cc-pVTZ for H and aug-cc-pVTZ for O and Ar; denoted as haTZ). Optimized structures and harmonic vibrational frequencies were also obtained with the two-body–many-body (2b:Mb) and three-body–many-body (3b:Mb) techniques; here, high-level CCSD(T) computations capture up through the two-body or three-body contributions from the many-body expansion, respectively, while less demanding MP2 computations recover all higher-order contributions. Five unique stationary points have been identified in which Ar binds to the cyclic water trimer, along with four for (H${}_2$O)${}_4$ and three for (H${}_2$O)${}_5$. To the best of our knowledge, eleven of these twelve structures have been characterized here for the first time. Ar consistently binds more strongly to the faces than the edges of the cyclic (H${}_2$O)${}_n$ clusters, by as much as a factor of two. The 3b:Mb electronic energies computed with the haTZ basis set indicate that Ar binds to the faces of the water clusters by at least 3 kJ mol${}^{-1}$ and by nearly 6 kJ mol${}^{-1}$ for one Ar(H${}_2$O)${}_5$ complex. An analysis of the interaction energies for the different binding motifs based on symmetry-adapted perturbation theory (SAPT) indicates that dispersion interactions are primarily responsible for the observed trends. The binding of a single Ar atom to a face of these cyclic water clusters can induce perturbations to the harmonic vibrational frequencies on the order of 5 cm${}^{-1}$ for some hydrogen-bonded OH stretching frequencies. Full article

The 476-ton active mass ICARUS T-600 Liquid Argon Time Projection Chamber (LArTPC) is a pioneering development that has become the template for neutrino and rare event detectors, including the massive next-generation international Deep Underground Neutrino Experiment. It began operation in 2010 at the underground Gran Sasso National Laboratories and was transported to Fermilab in the US in 2017. To ameliorate the impact of shallow-depth operation at Fermilab, the detector has been enhanced with the addition of a new high granularity light detection system inside the LAr volume along with an external cosmic ray tagging system. Currently in the final stages of commissioning, ICARUS is the largest LArTPC ever to operate in a neutrino beam. On this note, we describe the current status of the ICARUS detector and its achievements in this presentation, and review the plans for ongoing development of the analysis tools needed to fulfill its physics program. Full article

Central retinal vein occlusion (CRVO) is a visually disabling condition resulting from a thrombus in the major outflow vessel of the eye. The inflammatory response in CRVO is effectively treated with a dexamethasone (DEX) intravitreal implant. Uncovering the proteome changes following DEX implant intervention in CRVO may identify key proteins that mediate the beneficial effects of DEX. In six Göttingen minipigs, CRVO was induced in both eyes with an argon laser using a well-established experimental model. The right eyes were treated with a DEX intravitreal implant (Ozurdex, Allergan), while the left control eyes received a sham injection. Eight weeks after DEX intervention, retinal samples were collected and analyzed with tandem mass tag-based mass spectrometry. DEX implant intervention resulted in the upregulation of peptidyl-prolyl cis–trans isomerase FKBP5 (FKBP5) and ubiquilin-4. Immunohistochemistry showed expression of FKBP5 in the nuclei in all cellular layers of the retina. Cell adhesion molecule 3, tumor necrosis factor receptor superfamily member 16, and trans-1,2-dihydrobenzene-1,2-diol dehydrogenase were downregulated following DEX intervention. The upregulation of the corticosteroid-sensitive protein FKBP5 suggests that the implant remained active at the molecular level after eight weeks of treatment. Future studies may investigate if FKBP5 regulates the efficacy and duration of the DEX implant. Full article

Aflibercept is a frequently used inhibitor of vascular endothelial growth factor (VEGF) in the treatment of macular edema following central retinal vein occlusion (CRVO). Retinal proteome changes following aflibercept intervention in CRVO remain largely unstudied. Studying proteomic changes of aflibercept intervention may generate a better understanding of mechanisms of action and uncover aspects related to the safety profile. In 10 Danish Landrace pigs, CRVO was induced in both eyes with an argon laser. Right eyes were treated with intravitreal aflibercept while left control eyes received isotonic saline water. Retinal samples were collected 15 days after induced CRVO. Proteomic analysis by tandem mass tag-based mass spectrometry identified a total of 21 proteins that were changed in content following aflibercept intervention. In retinas treated with aflibercept, high levels of aflibercept components were reached, including the VEGF receptor-1 and VEGF receptor-2 domains. Fold changes in the additional proteins ranged between 0.70 and 1.19. Aflibercept intervention resulted in a downregulation of pigment epithelium-derived factor (PEDF) (fold change = 0.84) and endoplasmin (fold change = 0.91). The changes were slight and could thereby not be confirmed with less precise immunohistochemistry and Western blotting. Our data suggest that aflibercept had a narrow mechanism of action in the CRVO model. This may be an important observation in cases when macular edema secondary to CRVO is resistant to aflibercept intervention. Full article

Direct measurements of the slip velocity in rarefied gas flows produced by local thermodynamic non-equilibrium at the wall represent crucial information for the validation of existing theoretical and numerical models. In this work, molecular tagging velocimetry (MTV) by direct phosphorescence is applied to argon and helium flows at low pressures in a 1-mm deep channel. MTV has provided accurate measurements of the molecular displacement of the gas at average pressures of the order of 1 kPa. To the best of our knowledge, this work reports the very first flow visualizations of a gas in a confined domain and in the slip flow regime, with Knudsen numbers up to 0.014. MTV is cross-validated with mass flowrate measurements by the constant volume technique. The two diagnostic methods are applied simultaneously, and the measurements in terms of average velocity at the test section are in good agreement. Moreover, preliminary results of the slip velocity at the wall are computed from the MTV data by means of a reconstruction method. Full article

The Fermilab Short Baseline Neutrino (SBN) program aims to observe and reconstruct thousands of neutrino-argon interactions with its three detectors (SBND, MicroBooNE, and ICARUS-T600), using their hundred-ton scale Liquid Argon Time Projection Chambers to perform a rich physics analysis program, in particular focused on the search for sterile neutrinos. Given the relatively shallow depth of the detectors, the continuous flux of cosmic ray particles crossing their volumes introduces a constant background which can be falsely identified as part of the event of interest. Here we present the Cosmic Ray Tagger (CRT) system, a novel technique to tag and identify these crossing particles using scintillation modules which measure their time and coordinates relative to the internal events to the neutrino detector, with the intent of mitigating their effect in the event tracking reconstruction. Full article