Elizabeth Escamilla-Roa

Elizabeth Escamilla-Roa
Spanish National Research Council | CSIC · Instituto Andaluz de Ciencias de la Tierra (IACT)

About

27
Publications
1,671
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378
Citations
Citations since 2017
12 Research Items
224 Citations
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201720182019202020212022202301020304050
Introduction
Elizabeth Escamilla-Roa currently works at the Instituto Andaluz de Ciencias de la Tierra (IACT), Spanish National Research Council. Elizabeth does research in Atomic, Molecular and Optical Physics, Condensed Matter Physics and Computational Physics. Their most recent publication is 'Growth of self-assembling tubular structures of magnesium oxy/hydroxide and silicate related with seafloor hydrothermal systems driven by serpentinization'.

Publications

Publications (27)
Article
A hydrated complex of 1,10-phenanthroline with Cu²⁺ cation was intercalated in the interlayer space of montmorillonite. This intercalation occurs initially by through a cation exchange mechanism in which the charge of the complex cation compensates the excess of the negative charge of the interlayer, then, once the cation exchange capacity (CEC) va...
Article
This work aimed at studying the potentiality of interactions between kaolinite surfaces and a protein-fragment (350-370 amino acid units) extracted from the glycoprotein E1 in the transmembrane domain (TMD) of hepatitis C virus capsid. A computational work was performed for locating the potential electrostatic interaction sites between kaolinite al...
Article
Ar⁺ ion sputtering on pyrite surfaces leads to the generation of sulfur vacancies and metallic iron. Our research shows that sputtering and annealing processes drive electrostatic changes on the pyrite surface, which play an important role in the molecular adsorption of glycine. While both chemical species (anion and zwitterion) adsorb on a sputter...
Article
Perchlorates have been found widespread on the surface of Mars, their origin and degradation pathways are not understood to date yet. We investigate here, from a theoretical point of view, the potential redox processes that take place in the interaction of Martian minerals such as olivine, with anhydrous and hydrated perchlorates. For this theoreti...
Article
Muscovite (Ms) and phlogopite (Phl) belong to the 2:1 dioctahedral and trioctahedral layer silicates, respectively, and are the end members of Ms-Phl series minerals. This series was studied in the 2M1 polytype and modeled by the substitution of three Mg²⁺ cations in the Phl octahedral sites by two Al³⁺ and one vacancy, increasing the substitution...
Article
Full-text available
The presence of non-stoichiometric sites on the pyrite (100) surface makes it a suitable substrate for driving the chemical evolution of glycine amino acid over time, even under inert conditions. Spectroscopic molecular fingerprints prove a transition process from a zwitterionic species to an anionic species over time on the monosulfide enriched su...
Article
Titanium dioxide (TiO2) is one of the most studied oxides in photocatalysis, due to its electronic structure and its wide variety of applications, such as gas sensors and biomaterials, and especially in methane-reforming catalysis. Titanium dioxide and olivine have been detected both on Mars and our Moon. It has been postulated that on Mars photoca...
Article
The application of clay minerals in therapeutics is becoming important due to its structural and surface physicochemical properties. The 5-aminosalicylic acid (5-ASA) is very common pharmaceutical drug and it is used worldwide with a huge market. The interactions between the 5-ASA molecule and both of the aluminol and siloxane surfaces of kaolinite...
Article
Tubular structures self-assemble from precipitating magnesium salts under the chemical garden chemobrionic growth process. Two experimental procedures, the dissolution of magnesium salt pellets and the injection of magnesium salt solutions into silicate solutions, were explored to reproduce in the laboratory the geochemical conditions under which s...
Article
Methane has been detected on all planets of our Solar System, and most of the larger moons, as well as in dwarf-planets like Pluto and Eric. The presence of this molecule in rocky planets is very interesting because its presence in the Earth's atmosphere is mainly related to biotic processes. Space instrumentation in orbiters around Mars has detect...
Article
The adsorption properties of clay minerals have been widely studied in several technology areas, due to their versatility, absorption capacity and catalytic properties. The interaction of aminoacids with clay surfaces can be interesting for its role in prebiotic scenarios. Different degrees of hydration and the adsorption of the glycine molecule an...
Article
This work is a study of CO and H2O molecules as adsorbates that interact on the surface of olivine dust grains. Olivine (forsterite) is present on the Earth, planetary dust, in the interstellar medium (ISM) and in particular in comets. The composition of amorphous ice is very important for the interpretation of processes that occur in the solar sys...
Article
Some aspects of the crystal structure of illite are not understood properly yet, in spite of its abundance and significance as a component of soils, sediments, and low-grade metamorphic rocks. The present study aimed to explore the role of hydronium cations in the interlayer space of illite in a theoreticalexperimental approach in order to clarify...
Article
The extraterrestrial origin of glycine has become a topic of great interest for astrobiology and it has been detected bonded to mineral surfaces in the dust of comet 81P/Wild 2 by the Stardust mission. The interactions of organic molecules with the dust grain surfaces shed light on possible routes for life from extraterrestrial space to Earth. The...
Article
Full-text available
The spatial geometry and local environment of hydroxyl groups of the cis-vacant (cv) crystal polymorph of dioctahedral 2:1 phyllosilicates are studied by computational methods, doing especial emphasis on the hydrogen bonds and electrostatic interactions of the hydroxyl groups with the neighbor atoms. Different types of phyllosilicates are explored:...
Article
The interaction of molecules on the mineral surface is interesting in understanding the development of icy mantles on interstellar and interplanetary dust. The ice grains can freeze and cover the silicate cores, growing an amorphous ice mantle. In the interstellar medium, olivine is a silicate that has been found in many places in dust. Previously...
Article
Dolomite (CaMg(CO3)2) is a sedimentary mineral that is found in the majority of natural carbonate rocks. Dolomite has been used in the treatment of polluting agents, and as a potential adsorbent of CO2. Dolomite is usually associated with oil deposits. Secondary oil recovery is a problem related to the adsorption processes of hydrocarbons onto rock...
Article
Density functional theory (DFT) calculations were performed to study the crystallographic properties of the cis-vacant form of dioctahedral 2:1 phyllosilicates. Samples with different layer charges are studied; only tetrahedrally charged, only octahedrally charged, or mixed octahedrally/tetrahedrally charged. The isomorphous cation substitutions we...
Article
In recent years glycine, the simplest amino acid, has become a topic of great importance in astrobiology owing to its unambiguous detection in comet 81P/Wild 2 dust by Stardust mission. A possible end state for glycine in comets is by forming a molecular bond with some species of cometary dust. Many questions remain about of how glycine survives th...
Article
Glycine, the simplest amino acid, has been detected in the carbonaceous chondrites of several meteorites, and as well as in the comet Wild 2 embedded in the aerogel panel returned by the Stardust mission. A possible end state for glycine in comets is for it to form a molecule bond with another species of cometary dust. This paper aims to study the...
Article
Full-text available
Quantum mechanical calculations based on the density functional theory (DFT) are used to study the crystal structures of dioctahedral 2:1 phyllosilicates. The isomorphous cation substitution is investigated by exploring different substitutions of octahedral Al3+ by Mg2+ or Fe3+, tetrahedral substitution of Si4+ by Al3+, and different interlayer cat...
Article
The crystal structure of triclinic pyrophyllite and its dehydroxylate derivative was studied with quantum mechanical calculations. The standard Kohn-Sham self-consistent density functional theory (DFT) was used through a linear-scaling DFT method with periodical boundary conditions in the generalized gradient approximation (GGA) with numerical atom...
Article
The hydroxy groups of the crystal lattice of dioctahedral 2:1 phyllosilicates were investigated by means of quantum-mechanical calculation. The standard Kohn-Sham self-consistent density functional theory (DFT) method was applied using the generalized gradient approximation (GGA) with numerical atomic orbitals and double-zeta polarized functions as...

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