Papers by Fernando Ruette
Interactions Between Humans, Cyborgs, and Artificial Consciousness Modeled Through Operators and Function Spaces
Journal of artificial intelligence and consciousness, Jun 28, 2023
This paper describes a mathematical model based on operators and function spaces (Hilbert space) ... more This paper describes a mathematical model based on operators and function spaces (Hilbert space) to better understand consciousness and the relationship between human and artificial consciousness (AC). Scientific understanding of the relationships between human consciousness (HC) and AC may shed new light on the future of HC and AC. This mathematical physical model considers general models of external and internal realities. Some schemes using external reality, senses or sensors, body-brain or computer software, internal reality, and HC or AC are discussed. The cyclic interaction of the internal reality maintains on time through decision-making (consciousness) and body-brain operators seem to be the origin of consciousness. An analysis of the importance of the AC and cyborg consciousnesses (CC) in the interaction with HC is also presented. It is concluded that the creation of CC and AC will allow the study of HC through experimentation by the evaluation of functions of emotion (values, feelings, penalties, and rewards) demanded by those consciousnesses. This will result in the transformation of the HC.
Interacción Ni-Grafito en ETAAS: Un estudio teórico-experimental
Ciencia, 2015
En este trabajo se llevo a cabo un estudio experimental-teorico a fin de elucidar los enlaces met... more En este trabajo se llevo a cabo un estudio experimental-teorico a fin de elucidar los enlaces metal-grafito y los posibles sitios de adsorcion que tienen lugar sobre una superficie de grafito pirolitico, durante los procesos de espectroscopia de absorcion atomica con atomizacion electrotermica (ETAAS). Los resultados experimentales fueron obtenidos por la tecnica de espectroscopia fotoelectronica de rayos X (XPS) y fueron modelados mediante la aplicacion del metodo computacional cualitativo PM6. El analisis de XPS se realizo para las etapas de calcinado y de atomizado y fueron postuladas las especies Ni 2 O 3 y NiO para dichas etapas, respectivamente. Un sistema aromatico policiclico de seis anillos, el coroneno; fue empleado como un modelo de la plataforma de grafito pirolitico (PGP). Las energias de adsorcion senalan que los sitios de interaccion mas estables son preferiblemente los carbonos del borde deshidrogenado. Los calculos teoricos mostraron una correlacion entre las energias de adsorcion en los sitios estudiados y los resultados experimentales obtenidos por XPS.
Se realizó una aproximación numérica sobre un reactor monolítico de canales circulares, en el cua... more Se realizó una aproximación numérica sobre un reactor monolítico de canales circulares, en el cual la transformación de metanol a olefinas se llevó a cabo en condición adiabática, en presencia de un catalizador ZSM-5. cuantificando el efecto de la transferencia de masa. La simulación mostró una muy buena correlación con el experimento y que para diversos espesores de la pared de canal (tw), la convertibilidad del metanol fue mayor a medida que el espesor de la pared fue mayor. Se pudo deducir que al 50% de la longitud del reactor, casi toda la composición de metanol ha sido transformada.
ChemInform Abstract: Molecular Analogues of Surface Species. Part 2. A Theoretical Study of Molybdenum Carbonyl Thiophene Complexes: Organometallic Models for the Chemisorption of Thiophene
ChemInform, Apr 11, 1989
Molecular orbital calculations on the interaction of Mo carbonyl fragments with thiophene suggest... more Molecular orbital calculations on the interaction of Mo carbonyl fragments with thiophene suggest that formation of the hitherto unknown complexes (I) and (II) is possible.
Computational and Theoretical Chemistry, 2017
Fundamental relationships between elementary functionals in quantum chemistry. An application for... more Fundamental relationships between elementary functionals in quantum chemistry. An application for H 2 and H 2 + , Computational & Theoretical Chemistry (2016),
Chemischer Informationsdienst, Jul 13, 1982
Zenodo (CERN European Organization for Nuclear Research), Feb 20, 2022
En el presente trabajo se introduce la técnica de la Dinámica Molecular (DM). Se comienza citando... more En el presente trabajo se introduce la técnica de la Dinámica Molecular (DM). Se comienza citando algunos métodos de simulación por computadora. Posteriormente se comentan algunos de los trabajos históricos que se dieron desde su desarrollo inicial. Ya en la sección de discusión se la define, se comenta un poco el formalismo tanto del método de integración de Verlet como de los Campos de Fuerza (CF). Luego, se habla acerca de cuáles propiedades se pueden obtener con la
Chemical Physics Letters, 2020
This is a PDF file of an article that has undergone enhancements after acceptance, such as the ad... more This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.
Chemical Physics Letters, Nov 1, 2015
Hydrogen atoms diffusion on a hydrocarbon flake is studied using PM6 and DFT programs using as mo... more Hydrogen atoms diffusion on a hydrocarbon flake is studied using PM6 and DFT programs using as models neutral and positive charged coronene. Chemisorption and potential energy surfaces and diffusion paths were calculated. Results show that diffusion occurs through C C bonds. Edge effects are very important because the most stable adsorptions occur on hydrogenated border sites, so the diffusion is biased toward edge sites. Charged coronene has stronger adsorption energies than neutral systems. A large difference between barriers in neutral and charged systems was not observed in most of the cases. A discussion of modeling diffusion processes is presented.
Analytical Chemistry, Apr 15, 1993
The study of the reactivity of the enantiopure ferrocenyl Schiff base (SC)-[FcCH=N-CH(Me)(C6H5)] ... more The study of the reactivity of the enantiopure ferrocenyl Schiff base (SC)-[FcCH=N-CH(Me)(C6H5)] (1) (Fc = (η 5-C5H5)Fe(η 5-C5H4)) with cis-[PtCl2(dmso)2] under different experimental conditions is reported. Four different types of chiral Pt(II) have been isolated and characterized. One of them is the enantiomerically pure trans-(SC)-[Pt{κ 1-N[FcCH=N-CH(Me)(C6H5)]}Cl2(dmso)] (2a) in which the imine acts as a neutral N-donor ligand; while the other three are the cycloplatinated complexes: [Pt{κ 2-C,N [(C6H4)-N=CHFc]}Cl(dmso)] (7a) and the two diastereomers {(Sp,SC) and (Rp,SC)} of [Pt{κ 2-C,N[(η 5-C5H3)-CH=N-{CH(Me)(C6H5)}]Fe(η 5-C5H5)}Cl(dmso)] (8a and 9a, respectively). Isomers 7a-9a, differ in the nature of the metallated carbon atom [C Ph (in 7a) or C Fc (in 8a and 9a)] or the planar chirality of the 1,2-disubstituted ferrocenyl unit (8a and 9a). Reactions of 7a-9a with PPh3 gave [Pt{κ 2-C,N[(C6H4)-N=CHFc]}Cl(PPh3)] (in 7b) and the diastereomers (Sp,SC) and (Rp,SC) of [Pt{κ 2-C,N[(η 5-C5H3)-CH=N-{CH(Me)(C6H5)}]
Magnesium salts in pregnancy
Journal of trace elements and minerals, Jun 1, 2023
Theoretical and experimental studies of intermediate species of photolysis, and phototoxicity of anti-hyperlipoproteinemic drugs (fibrates)
Molecular Engineering, 1994
During the past decade, interest in the reactions of human skin to light has been renewed, as a c... more During the past decade, interest in the reactions of human skin to light has been renewed, as a consequence of the public's obsession with sunbathing or exposure to artificial light sources. In addition, the widespread use of certain drugs has led to a dramatic increase of ...
Revista processos químicos, Jan 2, 2012
IVIChem é um sistema de interface gráfi ca de utilizador baseada na web que melhora usabilidade d... more IVIChem é um sistema de interface gráfi ca de utilizador baseada na web que melhora usabilidade de softwares de química computacional (QC), como o GAMESS, DeMon2k, o DeMon-nano, MOPAC e CATIVIC. Aqui, as instalações de entrada e análise dos resultados foram aplicadas para analisar a estrutura eletrônica, interação molecular e rotas de eventos de superfície. Esta interface facilita a construção de geometrias moleculares, montagem de arquivos de entrada, sequência de espera de cálculo, monitoramento do status dos cálculos e análise gráfi ca dos resultados. A possibilidade de incorporar novos pacotes computacionais de química, por especialistas ou criadores de software, também é considerada. É importante mencionar que IVIChem é focado na utilização de software, não proprietário e multidisciplinar, sendo empregado em diferentes áreas de modelagem de química.
Zenodo (CERN European Organization for Nuclear Research), Dec 30, 2021
Advances in science and technology (S&T), in most cases, seek to solve latent problems that are a... more Advances in science and technology (S&T), in most cases, seek to solve latent problems that are associated with the basic needs of humanity. The way in which these findings can benefit the largest possible number of people goes hand in hand with the ability to transcend basic research on a small scale in laboratories, to produce them on a large scale, a task in which a network of diverse actors intervenes, fulfilling thus, a cycle where researchers, technologists, scientific-technological policies, entrepreneurs, economists and industrialists play a fundamental role. Effective government intervention is the essential lubricant for its complex gear. The study is focused on revealing the background of innovative entrepreneurship, the beginnings of the relationship with Petróleos de Venezuela SA (PDVSA), advances in biomedicine, the role of S&T in times of pandemic and a model for researcher-business interaction. In addition, the causes for which these initiatives with scaling potential fail are mentioned. Finally, mention is made of the organism Polo Ciencia Tecnológico, recently created by the national executive, with the aim of articulating relations between public and private institutions.
Zenodo (CERN European Organization for Nuclear Research), Feb 20, 2022
Se realizó una aproximación numérica de Dinámica de Fluidos Computacional sobre un reactor de lec... more Se realizó una aproximación numérica de Dinámica de Fluidos Computacional sobre un reactor de lecho empacado a escala de laboratorio, constituido por partículas esféricas, en el cual la transformación de metanol a olefinas se llevó a cabo en condición adiabática, en presencia de un catalizador ZSM-5, cuantificando el efecto de la conversión química. La simulación mostró aceptables correlaciones con los experimentos, en específico, para la transformación a propileno, éste se transformó en su mayoría hacia aproximadamente la mitad de la longitud total del lecho empacado (20mm) a la par de la disminución de las fracciones molares de C4 a C6.
EduQuim, una herramienta computacional para el aprendizaje y la enseñanza de Química en la escuela secundaria
espanolEste trabajo describe el desarrollo de un software educativo (EduQuim) para mejorar y fome... more espanolEste trabajo describe el desarrollo de un software educativo (EduQuim) para mejorar y fomentar la ensenanza y aprendizaje de la quimica del tercer ano de educacion basica. Se expone la importancia de las herramientas de tecnologia de la informacion y las comunicaciones (TIC) en relacion con las teorias del aprendizaje y su relevancia para Venezuela. Se presenta en detalle el esquema de la plataforma web y las herramientas computacionales que fueron empleadas en la construccion de EduQuim, asi como los utilizados en el desarrollo de las animaciones y los juegos. Se identifican las estrategias, metodologias y el personal necesario para el desarrollo del software y se muestra el prototipo de pagina web con sus caracteristicas, personajes, videos y juegos. Finalmente, se exponen las conclusiones y comentarios sobre futuros trabajos. EnglishIn this paper, the development of an educational software (EduQuim) is described to help improve and enhance teaching and learning chemistry i...
Surface Science, 2018
This is a PDF file of an unedited manuscript that has been accepted for publication. As a service... more This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. Highlights DFT calculated interactions of Mo species on a pyrolytic graphite platform Calculations shed some lights on Mo adsorbed species during the ETAAS processes Molybdenum oxide species strongly bonded to pyrolytic graphite edges Mo adsorbs tightly on dehydrogenated and decarbonized sites of graphite surface Correspondence between adsorption energies of Mo species and XPS data
Surface Science, 2018
This is a PDF file of an unedited manuscript that has been accepted for publication. As a service... more This is a PDF file of an unedited manuscript that has been accepted for publication. As a service to our customers we are providing this early version of the manuscript. The manuscript will undergo copyediting, typesetting, and review of the resulting proof before it is published in its final form. Please note that during the production process errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain. Highlights Maghemite bulk and surface modeling considering vacancy effects Surface reconstruction as result of surface stability Changes of surface PDOS with respect to bulk structure Correlation between surface electronic density and work function Correlations between Fermi level changes and surface acid-basic and electric properties
Chemical Physics Letters, 2018
• A proton transfer (PT) may occur in isolated ion pairs of MgSO 4 •6H 2 O. • There is structures... more • A proton transfer (PT) may occur in isolated ion pairs of MgSO 4 •6H 2 O. • There is structures of MgSO 4 •6H 2 O without a PT. • The PT is due to a chain of strong hydrogen bonds. • Solvation reverts the proton transfer. • Isolated MgSO 4 •6H 2 O system is not realistic for a solution or a crystal of MgSO 4 .
International Journal of Quantum Chemistry, 2017
The role of magnesium sulfate as an inhibitor of lipid peroxidation has been poorly understood, a... more The role of magnesium sulfate as an inhibitor of lipid peroxidation has been poorly understood, although this salt has been intensively used in a wide range of diseases related to lipid peroxidation, for example, preeclampsia. Classical molecular dynamics (MD) simulations of a lipid bilayer in the presence of • OH radicals and MgSO 4 were performed to study their effects on membrane properties. Additionally, quantum chemistry (QC) calculations for MgSO 4 , • OH, MgSO 4 •
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Papers by Fernando Ruette