Search Results - "Delgado, Eduardo J"
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Temperature inhomogeneities cause the abundance discrepancy in H ii regions
Published in Nature (London) (08-06-2023)“…H ii regions are ionized nebulae surrounding massive stars. They exhibit a wealth of emission lines that form the basis for estimation of chemical composition…”
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Investigating the Drivers of Electron Temperature Variations in H ii Regions with Keck-KCWI and VLT-MUSE
Published in The Astrophysical journal (01-05-2024)“…H ii region electron temperatures are a critical ingredient in metallicity determinations, and recent observations have revealed systematic variations in the…”
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Hα Emission and H ii Regions at the Locations of Recent Supernovae in Nearby Galaxies
Published in The Astronomical journal (01-07-2024)“…We present a statistical analysis of the local, ≈50–100 pc scale, H α emission at the locations of recent (≤125 yr) supernovae (SNe) in nearby star-forming…”
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Theoretical Evidence for the Nonoccurrence of Tetrahedral Intermediates in the Deacylation Pathway of the Oxacillinase-24/Avibactam Complex
Published in ACS omega (24-12-2019)“…Oxacillinases (OXAs) β-lactamases are of special interest because of their capacity to hydrolyze antibacterial drugs such as cephalosporins and carbapenems,…”
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Molecular Insights on the Release of Avibactam from the Acyl-Enzyme Complex
Published in Biophysical journal (07-05-2019)“…Avibactam is a non-β-lactam β-lactamase inhibitor for treating complicated urinary tract and respiratory infections caused by multidrug-resistant bacterial…”
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A Theoretical Study on the Mechanisms Involved in Catalytic Dehydrogenation and Dehydration of Isopropanol on SrTiO3
Published in Chemphyschem (02-01-2024)“…The dehydrogenation and dehydration of isopropanol on the SrO and TiO2 terminated surfaces, of the SrTiO3 perovskite, is addressed by periodic DFT calculations…”
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Ultrasound-Assisted Room Temperature Synthesis of Flower-Like-Bi5O7I‑Incorporated Reduced Graphene Oxide Nanosheets for Highly Efficient Visible-Light Photocatalytic Activity
Published in Journal of physical chemistry. C (24-09-2020)“…Limited light absorption, inefficient electron–hole separation, and unsuitable positions of conduction band bottom and/or valence band top are three major…”
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A Theoretical Study on the Mechanisms Involved in Catalytic Dehydrogenation and Dehydration of Isopropanol on SrTiO 3
Published in Chemphyschem (02-01-2024)“…The dehydrogenation and dehydration of isopropanol on the SrO and TiO terminated surfaces, of the SrTiO perovskite, is addressed by periodic DFT calculations…”
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A rationale for the unlike potency of avibactam and ETX2514 against OXA-24 β-lactamase
Published in Archives of biochemistry and biophysics (30-09-2022)Get full text
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Black Trumpet Mushroom-like ZnS incorporated with Cu3P: Noble metal free photocatalyst for superior photocatalytic H2 production
Published in Journal of colloid and interface science (15-05-2021)“…Black Trumpet Mushroom-like Cu3P/ZnS photocatalyst was developed using hydrothermal and ball milling assisted method. A highest hydrogen production of 14,937…”
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Theoretical insights on the inhibition mechanism of a class A Serine Hydrolase by avibactam
Published in Journal of computational chemistry (15-09-2018)“…The inhibition mechanism of CTX‐M‐15 class A serine hydrolase by the inhibitor avibactam is addressed by a combined molecular dynamics (MD) and quantum…”
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Furfural Hydrogenation Over Reduced Pure (LaBO3) and Substituted (LaB0.5B'0.5O3) (B, B': Fe, Co, Ni) Perovskites
Published in ChemCatChem (24-06-2024)“…A series of pure and 50 % substituted Fe‐containing (LaFeO3, LaFe0.5Ni0.5O3 and LaFe0.5Co0.5O3) and Co/Ni‐containing (LaCoO3, LaNiO3, and LaCo0.5Ni0.5O3)…”
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A theoretical approach for the acylation/deacylation mechanisms of avibactam in the reversible inhibition of KPC-2
Published in Journal of computer-aided molecular design (01-09-2021)“…Klebsiella pneumoniae carbapenemase (KPC-2) is the most commonly encountered class A β-lactamase variant worldwide, which confer high-level resistance to most…”
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Quantitative prediction of solvation free energy in octanol of organic compounds
Published in International journal of molecular sciences (01-03-2009)“…The free energy of solvation, DeltaGS0, in octanol of organic compounds is quantitatively predicted from the molecular structure. The model, involving only…”
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Mechanistic study of the biosynthesis of R-phenylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simulations
Published in Archives of biochemistry and biophysics (15-04-2021)“…The biosynthesis of R-phenylacetylcarbinol (R-PAC) by the acetohydroxy acid synthase, (AHAS) is addressed by molecular dynamics simulations (MD), hybrid…”
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Mechanistic study of the biosynthesis of R-phenylacetylcarbinol by acetohydroxyacid synthase enzyme using hybrid quantum mechanics/molecular mechanics simulations
Published in Archives of biochemistry and biophysics (15-08-2021)“…The biosynthesis of R-phenylacetylcarbinol (R-PAC) by the acetohydroxy acid synthase, (AHAS) is addressed by molecular dynamics simulations (MD), hybrid…”
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Ag substituted LaCoO3 perovskites as precursors for the catalytic hydrogenation of levulinic acid
Published in Journal of chemical technology and biotechnology (1986) (01-12-2022)“…BACKGROUND Perovskite‐type mixed oxides with the formula La1‐xAgxCoO3 (xAg = 0.05, 0.10, 0.20) were successfully used as precursors to prepare cobalt…”
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A QM/MM study on the enzymatic inactivation of cefotaxime
Published in Journal of molecular modeling (01-07-2017)“…The reaction between the antibiotic cefotaxime and the CTX-M-14 class A serine hydrolase is addressed from a theoretical point of view, by means of hybrid…”
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PHANGS-JWST: Data-processing Pipeline and First Full Public Data Release
Published in The Astrophysical journal. Supplement series (01-07-2024)“…The exquisite angular resolution and sensitivity of JWST are opening a new window for our understanding of the Universe. In nearby galaxies, JWST observations…”
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Effects of density and temperature variations on the metallicity of Mrk 71
Published in Nature astronomy (01-03-2024)Get full text
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