Search Results - "GUARDIA, E"
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1H Nuclear Spin Relaxation of Liquid Water from Molecular Dynamics Simulations
Published in The journal of physical chemistry. B (05-02-2015)“…We have investigated the nuclear spin relaxation properties of 1H in liquid water with the help of molecular dynamics simulations. We have computed the 1H…”
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Effects of concentration on structure, dielectric, and dynamic properties of aqueous NaCl solutions using a polarizable model
Published in The Journal of chemical physics (07-06-2010)“…The study of NaCl solutions in water at finite concentration, explicitly including polarization in water molecules and ions, has been carried out by molecular…”
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Characterization of the Methane–Graphene Hydrophobic Interaction in Aqueous Solution from Ab Initio Simulations
Published in Journal of chemical theory and computation (12-11-2013)“…In this article, the interaction between a methane molecule and a graphene plane in liquid water has been characterized employing DFT-based free energy…”
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4
Salmonella Abortusovis: An Epidemiologically Relevant Pathogen
Published in Current microbiology (01-01-2022)“…The ovine pathogen Salmonella enterica serovar Abortusovis (SAO), a pathogen strictly adapted to ovine hosts, is endemic in several European and Asian…”
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The draft genome of Andean Rhodopseudomonas sp. strain AZUL predicts genome plasticity and adaptation to chemical homeostasis
Published in BMC microbiology (09-12-2022)“…The genus Rhodopseudomonas comprises purple non-sulfur bacteria with extremely versatile metabolisms. Characterization of several strains revealed that each is…”
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Molecular dynamics simulations of water confined in graphene nanochannels: From ambient to supercritical environments
Published in Journal of molecular liquids (15-04-2010)“…We report results of molecular dynamics simulations of water at ambient, high-temperature and supercritical conditions inside a graphene slab 3.1 nm wide. The…”
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Molecular Dynamics Simulation of Liquid Water Confined inside Graphite Channels: Dielectric and Dynamical Properties
Published in The journal of physical chemistry. B (30-11-2006)“…Electric and dielectric properties and microscopic dynamics of liquid water confined between graphite slabs are analyzed by means of molecular dynamics…”
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Endovascular Applications for the Management of High-Grade Gliomas in the Modern Era
Published in Cancers (22-04-2024)“…High-grade gliomas (HGGs) have a poor prognosis and are difficult to treat. This review examines the evolving landscape of endovascular therapies for HGGs…”
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Exploring the positive side of personal internet use at work: Does it help in managing the border between work and nonwork?
Published in Computers in human behavior (01-01-2014)“…•We focus on the question of whether using the internet at work has positive aspects.•Employees with many nonwork demands used the internet more often for…”
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A continuous mixture of two different dimers in liquid water
Published in Physical chemistry chemical physics : PCCP (01-01-2014)“…It is hitherto thought that liquid water is composed of tetrahedrally coordinated molecules with an asymmetric interaction of the central molecule with…”
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Thrombectomy for late occlusion of high flow extracranial-intracranial saphenous vein bypass graft after 27 years of patency
Published in Journal of neurointerventional surgery (01-11-2018)“…High flow extracranial-intracranial (EC-IC) bypass with a saphenous vein graft (SVG) has been used for more than 40 years in patients with giant aneurysms of…”
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Liquid Water Confined in Carbon Nanochannels at High Temperatures
Published in The journal of physical chemistry. B (01-11-2007)“…Structure, hydrogen bonding, electrostatics, dielectric, and dynamical properties of liquid water confined in flat graphene nanochannels are investigated by…”
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13
Prospective Validation of Glial Fibrillary Acidic Protein, d ‐Dimer, and Clinical Scales for Acute Large‐Vessel Occlusion Ischemic Stroke Detection
Published in Stroke: vascular and interventional neurology (01-07-2024)“…Background Large‐vessel occlusion (LVO) ischemic stroke is responsible for significant morbidity and mortality. We have previously described a novel tool for…”
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Structure and Dynamics of Liquid Ethanol
Published in The journal of physical chemistry. B (02-01-1997)“…Molecular dynamics simulations of liquid ethanol at four thermodynamic states ranging from T = 173 K to T = 348 K were carried out using the transferable OPLS…”
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Competing structures within the first shell of liquid C2Cl6: A molecular dynamics study
Published in Journal of molecular liquids (01-02-2014)“…We present a detailed study on the liquid structure of hexachloroethane (C2Cl6) within the first shell using the proper Euler-angles convention. Molecular…”
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Hydration and Dynamics of a Tetramethylammonium Ion in Water: A Computer Simulation Study
Published in The journal of physical chemistry. B (17-09-1998)“…Molecular dynamics simulations of one single tetramethylammonium ion in water have been carried out. The structural analysis revealed the existence of a…”
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A randomized and prospective study comparing treatment with high-dose intravenous immunoglobulin with monoclonal antibodies for rescue of kidney grafts with steroid-resistant rejection
Published in Transplantation (15-01-2001)“…The aim of this study was to compare the effectiveness of intravenous immunoglobulin (IVIg) versus monoclonal anti-CD3 as a treatment for steroid-resistant…”
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Electrochemistry of R. palustris Azul during phototrophic growth
Published in Electrochimica acta (20-09-2020)“…Facultative phototrophs are considered within the most versatile bacteria with respect to energy metabolism, since their genomes code for the machinery for…”
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Dynamics in hydrogen bonded liquids: water and alcohols
Published in Journal of molecular liquids (01-04-2002)“…Molecular dynamics (MD) has been revealed as a powerful tool to investigate the structure and dynamics of hydrogen bonded liquids. This paper reviews recent…”
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Prognostic value of Pulsatility index in acute intracerebral hemorrhage
Published in Neurology (28-10-2003)“…To investigate whether data obtained by transcranial Doppler (TCD) have prognostic value in patients with intracerebral hemorrhage (ICH). A prospective study…”
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