Browsing by Author "Miranda Rojas, Sebastián"
Now showing items 1-17 of 17
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(Elsevier, 2015)© 2015 Elsevier B.V.The inter- and intramolecular aurophilic [ClAuPH3]2, [S(AuPH3)2] and [AuPH3]42+ interactions were studied using ab initio post-Hartree-Fock and DFT methodologies. The post-Hartree-Fock methods provide ...
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(AMER CHEMICAL SOC, 2011-05-05)Bond order indexes are useful measures that connect quantum mechanical results with chemical understanding. One of these measures, the natural bond order index, based on the natural resonance theory procedure and part of ...
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(Elsevier, 2015)The inter- and intramolecular aurophilic [ClAuPH3]2, [S(AuPH3)2] and [AuPH3]4 2+ interactions were studied using ab initio post-Hartree–Fock and DFT methodologies. The post-Hartree–Fock methods provide results closer ...
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(2012)Impairment of the Zn(II)-binding site of the copper, zinc superoxide dismutase (CuZnSOD) protein is involved in a number of hypotheses and explanations for the still unknown toxic gain of function mutant varieties of CuZnSOD ...
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(2012)We have prepared self-assembled monolayers (SAMs) of 4-aminothiophenol (4-ATP) and 1-(4-mercaptophenyl)-2,6-diphenyl-4-(4-pyridyl)pyridinium tetrafluoroborate (MDPP) functionalized with iron phthalocyanine (FePc) and copper ...
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(Universidad de Chile, 2009)FE65 es una proteína adaptadora que actualmente se ha relacionado con la formación del péptido β-amiloide y la hiperfosforilación de tau, procesos que se ven incrementados en pacientes con Alzheimer, probablemente como ...
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(Elsevier Ltd, 2018)Sunset yellow, Allura red and Ponceau 4R are azo-colorants with similar chemical structures. These colorants were studied by electrochemical methods at a glassy carbon electrode in phosphate buffer solution (pH 7.0), ...
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(MDPI, 2021)The mixed lineage leukemia 3 or MLL3 is the enzyme in charge of the writing of an epigenetic mark through the methylation of lysine 4 from the N-terminal domain of histone 3 and its deregulation has been related to several ...
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(2012)Although substrate conversion mediated by human monoaminooxidase (hMAO) has been associated with the deprotonated state of their amine moiety, data regarding the influence of protonation on substrate binding at the active ...
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(Wiley, 2019)Complexity is a concept that is being considered in chemistry as it has shown potential to revealinteresting phenomena. Thus, it is possible to study chemical phenomena in a new approachcalled systems chemistry. The systems ...
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(Elsevier B.V., 2017)© 2017 Elsevier B.V.A complete theoretical characterization of the factors involved in the stabilization of hybrid laminar composites is reported, with the purpose of understanding the main interactions involved in the ...
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(American Chemical Society, 2016)© 2016 American Chemical Society.Gold-graphene interaction at the interface is evaluated through different polyaromatic hydrocarbons (PAH), accounted by C6H6, C24H12, C54H16, and C96H18, focusing into different energetic ...
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(Amer Chemical Society, 2016)Gold−graphene interaction at the interface is evaluated through different polyaromatic hydrocarbons (PAH), accounted by C6H6, C24H12, C54H16, and C96H18, focusing into different energetic terms related to the overall ...
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(Royal Soc. Chemistry, 2016)It is widely known that sulfur ligands, such as alkanethiols or phenothiols and their derivatives, are useful anchor systems for gold materials due to the high affinity of sulfur to gold surfaces. In this study we use DFT ...
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(2013)The interaction of thiol and thiolate containing molecules with gold (S-Au) has gained increasing interest because of its applications in molecular electronic devices and catalysis. In this context, the enhanced conductivity ...
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(Royal Society of Chemistry, 2015)This journal is © the Owner Societies.The electronic structure and spectroscopic properties of [Hg(C<inf>6</inf>F<inf>5</inf>)<inf>2</inf>]<inf>2</inf>-{L}, [Hg<inf>3 ...
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(MDPI, 2022)MLL3, also known as KMT2C, is a lysine mono-methyltransferase in charge of the writing of an epigenetic mark on lysine 4 from histone 3. The catalytic site of MLL3 is composed of four tyrosines, namely, Y44, Y69, Y128, and ...
