Síntesis de materiales laminares pilareados con óxidos variables para degradación de contaminantes en fase líquida

Synthesis of pillared laminar materials with variable oxides for degradation of contaminants in liquid phase

Carlos Alfonso Sierra García (2023, [Tesis de maestría])

La fotocatálisis heterogénea es esencial para la degradación exitosa de contaminantes orgánicos en medios líquidos. Este proceso de oxidación avanzada se ha convertido en uno de los más interesantes para el tratamiento de aguas residuales, que contienen compuestos orgánicos nocivos para el medio ambiente, como los colorantes. En este trabajo se evaluó la actividad fotocatalítica de zeolita MCM-22 pilareada con SiO2/TiO2 (también conocida como MCM-36) para la degradación de azul ácido 113, un colorante diazoico utilizado frecuentemente en la industria textil. Las zeolitas MCM-22 se sintetizaron mediante el método hidrotermal, sujetas al proceso de pilareado de SiO2/TiO2 en diferentes relaciones molares modificado con la asistencia de isopropanol junto a una impregnación húmeda de MnO2 (1 y 2%). Se confirmaron las estructuras mesoporosas de las zeolitas mediante los análisis de difracción de rayos X y fisisorción de N2. Los resultados de espectroscopía UV-Vis de reflectancia difusa indicaron la presencia de especies de óxidos de Ti y Mn. En microscopía electrónica de barrido las muestras se observaron de manera panorámica las muestras, mientras que en microscopia electrónica de transmisión se observó la dispersión de las nanopartículas de TiO2, donde se logró ver la distancia interplanar de estas identificando el plano (100) característico de la fase anatasa, así como la estructura laminar y mesoporosa de la MCM-22. Las cantidades de Ti y Mn introducidas a las muestras se obtuvieron mediante el análisis ICP-OES (espectrometría de emisión óptica de plasma de acoplamiento inductivo). Los resultados de degradación fotocatalítica mostraron que el fotocatalizador más activo fue MCM-36 0:1 consiguiendo un 79.64%, seguido del MCM-36 1:10 (42.70%), 1:5 (34.83%) y 1:3 (25.99%). Se observó que la actividad del TiO2 puede ser inhibida por la adición de MnO2, que envenena el catalizador, posiblemente dando lugar a la formación de una heterounión entre el TiO2 y MnO2, formando centros que aceleran la fotorecombinación.

Heterogeneous photocatalysis is essential for the successful degradation of organic contaminants in liquid media. This advanced oxidation process has become one of the most interesting for the treatment of wastewater containing organic compounds harmful to the environment, such as dyes. In this work, the photocatalytic activity of zeolite MCM-22 pillared with SiO2/TiO2 (also known as MCM36) was evaluated for the degradation of acid blue 113, a diazo dye frequently used in the textile industry. MCM-22 zeolites were synthesized by the hydrothermal method, using the SiO2/TiO2 pillaring process in different molar ratios, modified with the assistance of isopropanol together with a wet impregnation of MnO2 (1 and 2 %). The mesoporous structures of the zeolites were confirmed by Xray diffraction and N2 physisorption analyses. Diffuse reflectance UV-Vis spectroscopy results indicated the presence of Ti and Mn oxide species. With scanning electron microscopy, the samples were observed panoramically, while with transmission electron microscopy the dispersion of TiO2 nanoparticles was observed, where it was possible to see their interplanar distance, identifying the (100) plane, characteristic of the anatase phase, as well as the lamellar and mesoporous structure of MCM-22. The amounts of Ti and Mn introduced to the samples were obtained by ICP-OES (Inductively coupled plasma atomic emission spectroscopy) analysis. The photocatalytic degradation results showed that the most active photocatalyst was MCM-36 0:1 achieving 79.64%, followed by MCM-36 1:10 (42.70%), 1:5 (34.83%) and 1:3 (25.99%). It was observed that the activity of TiO2 can be inhibited by the addition of MnO2, which poisons the catalyst, leading to the formation of a heterojunction between TiO2 and MnO2, forming centers that accelerate photorecombination.

MCM-22, zeolita, fotocatálisis, TiO2, azul ácido 113 MCM-22, zeolite, photocatalysis, TiO2, acid blue 113 INGENIERÍA Y TECNOLOGÍA CIENCIAS TECNOLÓGICAS OTRAS ESPECIALIDADES TECNOLÓGICAS OTRAS OTRAS

Modelado y acoplamiento de la conductividad eléctrica e hidráulica a partir de tomografía de rocas

Modeling and coupling of electrical and hydraulic conductivity from rock tomography

Miguel Ángel Martínez Rodríguez (2022, [Tesis de maestría])

En este trabajo se emplearon técnicas de modelado numérico para simular el flujo de corriente eléctrica y de fluido a través de medios porosos con el fin de determinar el factor de resistividad y la permeabilidad, así como la distribución de los campos de densidad de corriente eléctrica y velocidad de flujo. Para el modelado de flujo eléctrico se desarrolló un algoritmo basado en diferencias finitas, mientras que para el modelado hidráulico se empleó una librería reportada en la literatura, basada en el método de redes de Boltzmann. En ambos esquemas de modelado se establecieron condiciones en la frontera poro-grano para modelar los procesos físicos exclusivamente en el espacio poroso. Los valores estimados de factor de resistividad y de permeabilidad, así como la porosidad, se emplearon para estudiar las correlaciones entre estas propiedades a través de relaciones petrofísicas. Para esto, se propuso una expresión que relaciona la permeabilidad y la porosidad y, empleando una relación existente entre el factor de resistividad y la porosidad, se propuso también una relación directa entre la permeabilidad y el factor de resistividad. Las relaciones propuestas fueron aplicadas a los valores numéricos obtenidos para paquetes de esferas generados numéricamente y se encontró que se ajustan mejor a los datos en comparación con las relaciones más comúnmente utilizadas, especialmente para porosidades altas. Se mostró también que estas relaciones petrofísicas toman la forma de las relaciones más comunes conocidas cuando se trata con porosidades bajas. Valores obtenidos de imágenes digitales de un paquete de esferas sintético y una muestra de dolomita mostraron que las expresiones para porosidades bajas son suficientes para ajustar datos de medios porosos con porosidades menores a un valor entre 0.3 y 0.4. Finalmente, se analizaron el factor de resistividad, la permeabilidad, las relaciones petrofísicas, y las distribuciones espaciales y estadísticas de los campos vectoriales de flujo se analizaron para comparar los fenómenos de transporte eléctrico e hidráulico, encontrando que algunos factores, como la porosidad efectiva, son importantes en ambos fenómenos de flujo; mientras que otros, como la adherencia del fluido a las paredes del poro, son particularmente relevantes para el flujo hidráulico.

In this work, numerical modeling techniques were used to simulate the flow of electric current and fluid through porous media in order to determine the resistivity factor and permeability, as well as the distribution of electric current density and flow velocity fields. For electric flow modeling, an algorithm based on finite differences was developed, while for hydraulic modeling, a library reported in the literature, based on lattice Boltzmann method, was used. In both modeling schemes, pore-grain boundary conditions were established to model the physical processes exclusively in the pore space. The estimated values of resistivity factor and permeability, as well as porosity, were used to study the correlations between these properties through petrophysical relationships. An expression relating permeability and porosity was proposed and, using an existing relationship between the resistivity factor and the porosity, a direct relation between permeability and resistivity factor was also proposed. The proposed relations were applied to data obtained for numerically generated sphere packs and were found to fit the data better than the most commonly used relationships, especially for high porosities. It was also shown that these petrophysical relationships take the form of the most common relationships known when dealing with low porosities. Modeling data on digital images of a synthetic sphere pack and a dolomite sample showed that the expressions for low porosities are sufficient to fit data from porous media with porosities lower than 0.3 to 0.4. Finally, resistivity factors, permeabilities, petrophysical relationships, and spatial and statistical distributions of flow vector fields were analyzed to compare electrical and hydraulic transport phenomena, finding that some factors, such as the effective porosity, are important in both flow phenomena; whereas some other, such as the pore-wall adherence, are particularly relevant to hidraulic flux.

Física de rocas, modelado numérico, relaciones petrofísicas, fenómenos de transporte, factor de resistividad, permeabilidad, porosidad, tomografía de rocas, campos vectoriales, distribución estadística Rock physics, numerical modelling, petrophysical relations, transport phenomena, resistivity factor, permeability, porosity, rock tomography, vector fields, statistical distribution CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA CIENCIAS DE LA TIERRA Y DEL ESPACIO GEOFÍSICA GEOFÍSICA DE LA MASA SÓLIDA TERRESTRE GEOFÍSICA DE LA MASA SÓLIDA TERRESTRE

Variación fenotípica de caracteres vegetativos y reproductivos de Hesperoyucca whipplei (Asparagaceae) en Baja California, México

Phenotypic variation of vegetative and reproductive traits of Hesperoyucca whipplei (Asparagaceae) in Baja California, Mexico

Melissa Michelle Alvarez Mexia (2024, [Tesis de maestría])

La variación fenotípica hereditaria de diferentes órganos de las plantas se ha relacionado con adaptaciones para tolerar el ambiente abiótico y mantener relaciones ecológicas. Específicamente se ha planteado que los órganos vegetativos de las plantas están bajo selección por disponibilidad de agua o luz, mientras que la variación de rasgos florales en especies con polinización zoocórica está fuertemente influenciada por sus polinizadores. Esto sugiere que la fortaleza de la covariación fenotípica entre órganos vegetativos y florales puede ser diferente dependiendo del estrés ambiental considerado. Según la hipótesis de Berg, las plantas con sistemas de polinización especializados desvinculan la morfología floral de la variación fenotípica en los caracteres vegetativos debido a la presión selectiva del polinizador. Se probó esto en la yuca de chaparral, Hesperoyucca whipplei, ya que se distribuye en diferentes ambientes a lo largo de la península de Baja California, y es polinizada únicamente por la polilla Tegeticula maculata. Esperamos que la heterogeneidad ambiental afecte principalmente a los niveles de variación fenotípica de los órganos vegetativos de las poblaciones de H. whipplei, causando cambios en la morfología entre poblaciones. Sin embargo, dada la polinización obligada, esperamos que la variación de los rasgos florales sea menor que la variación de sus rasgos vegetativos. Para probarlo, se tomaron datos morfométricos vegetativos y reproductivos de 202 individuos en 16 localidades. Los resultados mostraron amplia variación fenotípica en los caracteres vegetativos y reproductivos no florales y una menor variación fenotípica en los caracteres florales, especialmente el pistilo, con el cual interactúa directamente el polinizador. La temperatura y precipitación influyeron significativamente en la variación de la altura total de la planta y sobre los pétalos y pistilo en las flores. Se detectó una asociación entre los caracteres vegetativos y los reproductivos no florales, mientras que no se encontró una relación con los caracteres florales. A partir de esto se identificaron dos módulos fenotípicos altamente integrados, uno vegetativo y uno floral, lo que respalda la hipótesis de Berg y sugiere que experimentan presiones de selección diferentes. Nuestros hallazgos resaltan como la variación fenotípica en poblaciones de plantas es modulada por condiciones ambientales e interacciones ecológicas.

Hereditary phenotypic variation of different plant organs has been related to adaptations that allow them to tolerate the abiotic environment and maintain ecological relationships with other organisms. Specifically, it has been proposed that the vegetative organs of the plants are under selection due to the availability of water or sunlight, while the variation of floral traits in species with zoochoric pollination is strongly influenced by their pollinators. This suggests that the strength of the phenotypic co-variation between vegetative and floral organs may be different depending on the environmental stress considered. According to Berg's hypothesis, plants with specialized pollination systems dissociate floral morphology from phenotypic variation in vegetative traits due to selective pressure from the pollinator. The chaparral yuca, Hesperoyucca whipplei, is a good model to test this, since it is distributed in different environments along the Baja California peninsula, and this plant is pollinated only by the Tegeticula maculata moth. We expect that environmental heterogeneity primarily affects the levels of phenotypic variation of the vegetative organs of H. whipplei populations, causing changes in morphology between populations. However, given the obligatory pollination by the moth, we expect that the variation in the floral traits will be lesser than the variation in their vegetative traits. To test this, vegetative and reproductive morphometric data were taken from 202 individuals in 16 locations. The results showed wide phenotypic variation in vegetative and non-floral reproductive traits and lower phenotypic variation in floral traits, especially the pistil, which directly interacts with the pollinator. Temperature and precipitation significantly influenced the variation of the total height of the plant and on the petals and pistil in the flowers. An association was detected between vegetative and non-floral reproductive characters, while no relationship was found with floral characters. From this, two highly integrated phenotypic modules, one vegetative and one floral, were identified, which supports Berg's hypothesis and suggests that they experience different selection pressures. Our findings highlight how phenotypic variation in plant populations is modulated by environmental conditions and ecological interactions.

Baja California, Hesperoyucca whipplei, hipótesis de Berg, variación fenotípica Baja California, Berg’s hypothesis, Hesperoyucca whipplei, phenotypic variation BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA BIOLOGÍA VEGETAL (BOTÁNICA) ECOLOGÍA VEGETAL ECOLOGÍA VEGETAL

Antioxidant profile of hot and sweet pepper cultivars by two extraction methods

MERCEDES GEORGINA RAMIREZ ARAGON ENRIQUE TROYO DIEGUEZ Pablo Preciado Rangel Victoria Jared Borroel García Miguel García-Carrillo JOSE LUIS GARCIA HERNANDEZ (2022, [Artículo])

"Chili peppers are among the most important vegetables in the world. The demand of this fruit reveals a noticeable rapid increasing, which importance is mainly due to its nutraceutical composition. These fruits are rich in capsaicinoids, phenolic compounds, carotenoids, and others, including vitamins. In this study, a comparative evaluation between two extraction methods of bioactive compounds of fourteen chili pepper cultivars was performed. Two extraction methods for antioxidants, the time-solvent and the ultrasound were evaluated. The design of the experiment was completely randomized with three repetitions where variables evaluated were total phenolic compounds, flavonoids content, antioxidant capacity and capsaicin. Results showed that the phenolic compounds oscillated between 48.7 - 634.1 mg GAE/100 g dry weight (DW), the flavonoids content varied from 1 - 97 mg QE/100 g DW, the antioxidant activity from 65 - 348 µmol Trolox/g DW and the capsaicin content oscillated from 0.3 - 922 mg/100 g DW. The extraction method with higher values of bioactive compounds for each of the chili pepper types was the ultrasound for all the measured variables."

Capsicum annuum, phenolics, flavonoids, capsaicin, ultrasound, antioxidant capacity CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA CIENCIAS AGRARIAS AGRONOMÍA PRODUCCIÓN DE CULTIVOS PRODUCCIÓN DE CULTIVOS

Efecto del fotoperiodo y la temperatura sobre la composición bioquímica en reproductores silvestres de cabrilla sardinera, Mycteroperca rosacea (Streets, 1877)

Effect of photoperiod and temperature on the biochemical composition in wild broodstock of sardine cabrilla, Mycteroperca rosacea (Streets, 1877)

JOSE ANTONIO ESTRADA GODINEZ MINERVA CONCEPCION MALDONADO GARCIA VICENTE GRACIA LOPEZ Rene Rebollar MILTON ALEJANDRO SPANOPOULOS ZARCO (2014, [Artículo])

"Se estimó el factor de condición (K), el índice gonadosomático (IGS), hepatosomático (IHS) y de grasa visceral (IGV), así como la composición bioquímica en diferentes tejidos de reproductores silvestres de cabrilla sardinera, Mycteroperca rosacea, para evaluarlos a lo largo de un ciclo reproductivo y ver la relación que presentan los cambios con respecto a la temperatura del agua y fotoperiodo de la zona de muestreo. Se capturaron 187 reproductores, 146 hembras y 41 machos en el golfo de California, México. Se observaron diferencias significativas (P < 0,005) en los IGS, IHS e IGV; en el caso de K no se encontraron diferencias. También, se observaron variaciones significativas (P < 0,05) en la mayoría de los parámetros bioquímicos, encontrándose los valores más altos durante la etapa de desove, mientras que los más bajos durante la etapa de reposo. Todos los índices estimados y los parámetros bioquímicos determinados, se correlacionaron significativamente (P < 0,05) con el fotoperiodo, mientras que solo se encontraron correlaciones significativas (P < 0,05) entre el IGS e IGV con respecto a la temperatura del agua."

"Condition factor (K), gonadosomatic index, (IGS), hepatosomatic index (IHS) and fat visceral index (IGV) were estimated and the biochemical composition in different tissues of wild leopard grouper broodstock was determinate too, in order to evaluate them along a reproductive cycle and see the relationship of these changes with respect to the water temperature and photoperiod in the sampling area. 187 brooders were caught, 146 females and 41 males in the Gulf of California, Mexico. Significant differences (P < 0.005) in the IGS, IHS and IGV but not for K were observed. Significant changes (P < 0.05) were also observed in most of the biochemical parameters, being the highest value during the spawning stage, whereas the lowest occurred during the resting stage. Significant correlations (P < 0.05) between all estimated indices and biochemical parameters were observed, while only significant correlations (P < 0.05) between the IGS and IGV with respect to water temperature."

Mycteroperca rosacea, cabrilla sardinera, ciclo reproductivo, composición bioquímica, fotoperiodo, temperatura, golfo de California wavelet sardine, reproductive cycle, biochemical composition, photoperiod, temperature, Gulf of California BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA BIOLOGÍA ANIMAL (ZOOLOGÍA) FISIOLOGÍA ANIMAL FISIOLOGÍA ANIMAL

Movements of scalloped hammerhead sharks (Sphyrna lewini) at Cocos Island, Costa Rica and between oceanic islands in the Eastern Tropical Pacific

Elena Nalesso (2019, [Artículo])

Many species of sharks form aggregations around oceanic islands, yet their levels of residency and their site specificity around these islands may vary. In some cases, the waters around oceanic islands have been designated as marine protected areas, yet the conservation value for threatened shark species will depend greatly on how much time they spend within these protected waters. Eighty-four scalloped hammerhead sharks (Sphyrna lewini Griffith & Smith), were tagged with acoustic transmitters at Cocos Island between 2005–2013. The average residence index, expressed as a proportion of days present in our receiver array at the island over the entire monitoring period, was 0.52±0.31, implying that overall the sharks are strongly associated with the island. Residency was significantly greater at Alcyone, a shallow seamount located 3.6 km offshore from the main island, than at the other sites. Timing of presence at the receiver locations was mostly during daytime hours. Although only a single individual from Cocos was detected on a region-wide array, nine hammerheads tagged at Galapagos and Malpelo travelled to Cocos. The hammerheads tagged at Cocos were more resident than those visiting from elsewhere, suggesting that the Galapagos and Malpelo populations may use Cocos as a navigational waypoint or stopover during seasonal migrations to the coastal Central and South America. Our study demonstrates the importance of oceanic islands for this species, and shows that they may form a network of hotspots in the Eastern Tropical Pacific. © 2019 Nalesso et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

article, Cocos Island, human, monitoring, nonhuman, resident, shark, South America, animal, Costa Rica, environmental protection, island (geological), movement (physiology), physiology, season, shark, Animals, Conservation of Natural Resources, Costa CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA CIENCIAS DE LA TIERRA Y DEL ESPACIO OCEANOGRAFÍA OCEANOGRAFÍA

Gamma-diversity partitioning of gobiid fishes (Teleostei: Gobiidae) ensemble along of Eastern Tropical Pacific: Biological inventory, latitudinal variation and species turnover

OMAR VALENCIA MENDEZ (2018, [Artículo])

Gobies are the most diverse marine fish family. Here, we analysed the gamma-diversity (γ-diversity) partitioning of gobiid fishes to evaluate the additive and multiplicative components of α and β-diversity, species replacement and species loss and gain, at four spatial scales: sample units, ecoregions, provinces and realms. The richness of gobies from the realm Eastern Tropical Pacific (ETP) is represented by 87 species. Along latitudinal and longitudinal gradients, we found that the γ-diversity is explained by the β-diversity at both spatial scales, ecoregions and provinces. At the ecoregion scale, species are diverse in the north (Cortezian ecoregion) and south (Panama Bight ecoregion) and between insular and coastal ecoregions. At the province scale, we found that the species turnover between the warm temperate Northeast Pacific (WTNP), Tropical East Pacific (TEaP) and the Galapagos Islands (Gala) was high, and the species nestedness was low. At the ecoregion scale, historical factors, and phylogenetic factors have influenced the hotspots of gobiid fish biodiversity, particularly in the Cortezian, Panama Bight and Cocos Island ecoregions, where species turnover is high across both latitudinal and longitudinal gradients. At the provincial level, we found that the contributions of the β-diversity from north to south, in the WTNP, TEaP and Gala were high, as result of the high number of unique species. Species turnover was also high at this scale, with a low contribution from species nestedness that was probably due to the low species/gene flow within the provinces. These results highlight the importance and successful inclusion of a cryptobenthic fish component in ecological and biogeographical studies. © 2018 Valencia-Méndez et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

Article, biodiversity, biogeographic region, biogeography, gene flow, goby fish, nonhuman, phylogeny, species distribution, species diversity, taxonomic identification, teleost, animal, animal dispersal, fish, Pacific Ocean, phylogeography, Animal Di CIENCIAS AGROPECUARIAS Y BIOTECNOLOGÍA CIENCIAS AGRARIAS PECES Y FAUNA SILVESTRE PECES Y FAUNA SILVESTRE

Desarrollo de interfaces de electrodos para la detección electroquímica de Bisfenol A: Estudio teórico

JAZMIN DELGADO AVILEZ (2023, [Tesis de maestría])

El bisfenol A (BPA), es un contaminante de origen industrial presente en efluentes y

aguas naturales, que representa un alto riesgo para el entorno ambiental y para la salud humana debido a su inherente toxicidad y su limitada capacidad de degradación. En este contexto, los sensores electroquímicos, generalmente basados en electrodos de carbono, son herramientas fundamentales con el propósito de detectar y cuantificar esta molécula. Sin embargo, estos dispositivos enfrentan desafíos sustanciales derivados de la inactivación electroquímica, un fenómeno atribuido a la formación de una capa aislante o polimerización durante el proceso de detección. La descripción de los mecanismos de reacción BPA/superficie del electrodo puede ser útil para identificar los sitios activos y contribuir a la elucidación del proceso de polimerización.

En esta investigación, se implementó un estudio teórico mediante Teoría de Funcionales de la Densidad (DFT) con el propósito de analizar con profundidad las interacciones entre el BPA en sus diversos estados de oxidación: oxidada (O), reducida (R) y monoprotonada (r*) y materiales de carbono. A tal efecto, se empleó el grafeno funcionalizado (plano basal, borde tipo silla y zigzag) como modelo representativo de la superficie del electrodo. Finalmente se evalúan las posibilidades de la dimerización del BPA o polimerización sobre varios grupos funcionales. El objetivo principal radica en la detección de grupos funcionales específicos que puedan inducir procesos secundarios, los cuales actúan como obstáculos para la eficaz detección electroquímica del BPA. La información resultante se instituye como un recurso valioso con miras al diseño y la optimización de sensores electroquímicos con un desempeño más robusto y sofisticado.

A continuación, se detalla la sinopsis general de este trabajo describiendo cada capítulo y las etapas involucradas en el estudio del modelo teórico de DFT para el sistema de reacción BPA/superficie del electrodo.

Capítulo 1. Estado del arte tanto de los usos industriales como las implicaciones

ambientales asociadas al Bisfenol A. Una de las problemáticas que se destacan es la necesidad de una detección precisa de esta molécula mediante sensores electroquímicos cuya limitación es la inactivación que presentan. También se describe la justificación del trabajo, así como el uso del modelo computacional, además de los objetivos y la hipótesis del mismo.

Capítulo 2. Descripción de los fundamentos teóricos basados en primeros principios, de la Teoría de Funcionales de la Densidad (DFT), con un enfoque especial en las aproximaciones para desarrollar modelos representativos que optimicen el tiempo de cálculo. Además, se detallan las características de la estructura y la superficie de los materiales de carbono considerados en el proceso de modelado.

Capítulo 3. Detalle del proceso de construcción del modelo de superficie para el estudio de las interacciones BPA/superficie del electrodo, donde se empleó el modelo del plano basal,así como los bordes tipo silla y zigzag del grafeno, con funcionalizaciones que incluyen COOH, OH, éter, epóxido, cetona y terminaciones de hidrógeno.

Bisphenol A (BPA) is a contaminant of industrial origin present in effluents and natural waters. It represents a high environmental and human health risk due to its inherent toxicity and limited degradation capacity. In this context, electrochemical sensors, generally based on carbon electrodes, are fundamental to detecting and quantifying this molecule. However, these devices face substantial challenges from electrochemical inactivation, a phenomenon attributed to forming an insulating layer or polymerization during the sensing process. The description of the BPA/electrode surface reaction mechanisms can be helpful to identify the active sites and contribute to the elucidation of the polymerization process.

In this research, a theoretical study was implemented using Density Functional Theory (DFT) to analyze in depth the interactions between BPA in its various oxidation states: oxidized (O), reduced (R), and monoprotonated (r*) and carbon materials. For this purpose, functionalized graphene (basal plane, saddle edge, and zigzag) was used as a representative model of the electrode surface. Finally, the possibilities of BPA dimerization or polymerization on various functional groups are evaluated. The main objective is detecting specific functional groups that can induce secondary processes, which act as obstacles to the effective electrochemical detection of BPA. The resulting information is a valuable resource for designing and optimizing electrochemical sensors with more robust and sophisticated performance.

The general synopsis of this work is detailed below, describing each chapter and the

stages involved in the study of the theoretical DFT model for the BPA/electrode surface reaction system.

Chapter 1. State of the art of industrial uses and the environmental implications associated with Bisphenol A. One of the problems that stands out is the need for precise detection of this molecule using electrochemical sensors, whose limitation is the inactivation they present. The justification of the work is also described, as well as the use of the computational model, in addition to its objectives and hypothesis.

Chapter 2. Description of the theoretical foundations based on first principles of Density Functional Theory (DFT), focusing on approaches to develop representative models that optimize calculation time. Additionally, the structure and surface characteristics of the carbon materials considered in the modeling process are detailed.

Chapter 3. Detail of the construction process of the surface model for the study of BPA/electrode surface interactions, where the basal plane model was used, as well as the chair- type and zigzag edges of graphene, with functionalizations that include COOH, OH, ether, epoxide, ketone, and hydrogen endings.

INGENIERÍA Y TECNOLOGÍA CIENCIAS TECNOLÓGICAS Oxidación de fenoles, Teoría de funcionales de la densidad (DFT), electrodos de carbono, desactivación electroquímica, Bisfenol A (BPA). Phenol oxidation, Density Functional Theory (DFT), carbon electrodes, electrochemical deactivation, Bisphenol A (BPA).

Climate change and the northern elephant seal (Mirounga angustirostris) population in Baja California, Mexico

M. Concepción García-Aguilar (2018, [Artículo])

The Earth0s climate is warming, especially in the mid- and high latitudes of the Northern Hemisphere. The northern elephant seal (Mirounga angustirostris) breeds and haul-outs on islands and the mainland of Baja California, Mexico, and California, U.S.A. At the beginning of the 21st century, numbers of elephant seals in California are increasing, but the status of Baja California populations is unknown, and some data suggest they may be decreasing. We hypothesize that the elephant seal population of Baja California is experiencing a decline because the animals are not migrating as far south due to warming sea and air temperatures. Here we assessed population trends of the Baja California population, and climate change in the region. The numbers of northern elephant seals in Baja California colonies have been decreasing since the 1990s, and both the surface waters off Baja California and the local air temperatures have warmed during the last three decades. We propose that declining population sizes may be attributable to decreased migration towards the southern portions of the range in response to the observed temperature increases. Further research is needed to confirm our hypothesis; however, if true, it would imply that elephant seal colonies of Baja California and California are not demographically isolated which would pose challenges to environmental and management policies between Mexico and the United States. © 2018 García-Aguilar et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

air temperature, article, Baja California, climate change, human, Mirounga angustirostris, nonhuman, population size, warming, animal, ecosystem, environmental protection, Mexico, Phocidae, population density, population migration, temperature, Anima CIENCIAS FÍSICO MATEMÁTICAS Y CIENCIAS DE LA TIERRA CIENCIAS DE LA TIERRA Y DEL ESPACIO OCEANOGRAFÍA OCEANOGRAFÍA

Whole-genome comparison between reference sequences and oyster Vibrio vulnificus C-genotype strains

CARLOS ABRAHAM GUERRERO RUIZ (2019, [Artículo])

Whole-genome sequences of Vibrio vulnificus clinical genotype (C-genotype) from the CICESE Culture Collection, isolated from oysters, were compared with reference sequences of CMCP6 and YJ016 V. vulnificus C-genotype strains of clinical origin. The RAST web server estimated the whole genome to be ~4.8 Mb in CICESE strain 316 and ~4.7 Mb in CICESE strain 325. No plasmids were detected in the CICESE strains. Based on a phylogenetic tree that was constructed with the whole-genome results, we observed high similarity between the reference sequences and oyster C-genotype isolates and a sharp contrast with environmental genotype (E-genotype) reference sequences, indicating that the differences between the C- and E-genotypes do not necessarily correspond to their isolation origin. The CICESE strains share 3488 genes (63.2%) with the YJ016 strain and 3500 genes (63.9%) with the CMCP6 strain. A total of 237 pathogenicity associated genes were selected from reference clinical strains, where—92 genes were from CMCP6, 126 genes from YJ016, and 19 from MO6-24/ O; the presence or absence of these genes was recorded for the CICESE strains. Of the 92 genes that were selected for CMCP6, 67 were present in both CICESE strains, as were as 86 of the 126 YJ016 genes and 13 of the 19 MO6-24/O genes. The detection of elements that are related to virulence in CICESE strains—such as the RTX gene cluster, vvhA and vvpE, the type IV pili cluster, the XII genomic island, and the viuB genes, suggests that environmental isolates with the C-genotype, have significant potential for infection. © 2019 Guerrero et al. This is an open access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.

Article, bacterial gene, bacterial strain, bacterial virulence, comparative study, controlled study, gene cluster, gene identification, genomic island, genotype, nonhuman, phylogenetic tree, sequence analysis, strain identification, Vibrio vulnificus BIOLOGÍA Y QUÍMICA CIENCIAS DE LA VIDA GENÉTICA GENÉTICA