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Sample records for bases moleculares del

  1. Bases moleculares del efecto del tungstato de sodio sobre la plasticidad pancreática y Tmem77

    OpenAIRE

    Altirriba Gutiérrez, Jordi

    2010-01-01

    Esta tesis tiene dos partes bien diferenciadas. Una primera, en la que investigan las bases moleculares por las que el tratamiento con tungstato de sodio es capaz de inducir una regeneración del páncreas en los animales diabéticos. Y una segunda, que se centra en el papel de la proteína Tmem27 sobre los islotes pancreáticos y su posible uso como biomarcador de masa beta pancreática.Cada parte ha dado lugar a una publicación en una revista:A) "Molecular mechanisms of tungstate-induced pancreat...

  2. Bases moleculares del cáncer colorrectal = Molecular bases of colorectal cancer

    Directory of Open Access Journals (Sweden)

    Muñetón Peña, Carlos Mario

    2012-04-01

    Full Text Available Se considera que el cáncer colorrectal (CCR es un problema mundial de salud pública; es el tercer cáncer más común en hombres y el segundo en mujeres. Su distribución geográfica es variable: las tasas de incidencia son altas en países desarrollados de Europa, Norteamérica y Oceanía y bajas en países de regiones subdesarrolladas como África y Suramérica. Sin embargo, los datos de estudios recientes publicados por la Agencia Internacional de Investigaciones en Cáncer (IARC, International Agency for Research on Cancer muestran un aumento rápido en la incidencia de CCR en los períodos 1983-1987 y 1998-2002 en países en vías de desarrollo (1, mientras que en países desarrollados la incidencia se ha estabilizado y en muchos casos ha disminuido (2. La carcinogénesis del CCR es un proceso de múltiples etapas, caracterizado por una gran inestabilidad genómica que permite la acumulación de mutaciones en protoncogenes y genes supresores de tumores, alteración en la expresión de genes y producción de proteínas no funcionales, que les confieren a las células ventajas de proliferación y aumento de la supervivencia. La inestabilidad genómica del CCR se produce por diferentes vías; entre las más importantes se encuentran: la de inestabilidad cromosómica (CIN, la de inestabilidad microsatelital (MSI y la de metilación.

  3. Bases moleculares del síndrome de Rett, una mirada actual

    Directory of Open Access Journals (Sweden)

    Gretta Pantaleón F

    2015-06-01

    Full Text Available El síndrome de Rett (SR es un trastorno del neurodesarrollo que afecta casi exclusivamente a niñas y cursa secundariamente con autismo. Es poco frecuente y consta de 5 formas clínicas, una clásica y el resto atípicas que comprometen de manera general la habilidad manual, el lenguaje y la motricidad amplia unida a la aparición de estereotipias y epilepsia precoz. Con el objetivo de actualizar la información sobre SR, se aplicaron los descriptores de búsqueda Síndrome de Rett, genes y «Síndrome de Rett», «Rett Syndrome gene», «Rett Syndrome», «Rett Syndrome gene therapy» y «Rett Syndrome review». Se investigó en los archivos digitales PubMed, Hinari, SCIELO y Medline, y se consultaron los sitios web OMIM, ORPHANET, GeneMap, Genetests, Proteins y Gene, entre otros. Entre 1.348 artículos se seleccionaron 42, los cuales reportan 3 genes causantes del síndrome: MECP2, CDKL5 y FOXG. El gen MECP2 está mutado en el 80% de los pacientes con SR clásico así como en el 40% de los afectados con alguna de sus formas atípicas. El SR con epilepsia precoz y la variante congénita se deben fundamentalmente a variaciones en los genes CDKL5 y FOXG1 respectivamente. Conclusiones: El diagnóstico del SR se basa en criterios clínicos, sin embargo, los avances en la biología molecular y en la genética en particular han abierto el abanico de posibilidades diagnósticas a las diferentes formas clínicas que antes quedaban sin clasificar, a la vez que el análisis molecular permite confirmar el criterio clínico y aportar información en cuanto al pronóstico del paciente.

  4. Efficient indica and japonica rice identification based on the InDel molecular method: Its implication in rice breeding and evolutionary research

    Institute of Scientific and Technical Information of China (English)

    Bao-Rong Lu; Xingxing Cai; Xin Jin

    2009-01-01

    An efficient molecular method for the accurate and efficient identification of indica and japonica rice was created based on the poly-morphisms of insertion/deletion (InDel) DNA fragments obtained from the basic local alignment search tool (BLAST) to the entire genomic sequences of indica (93-11) and japonica rice (Nipponbare). The 45 InDel loci were validated experimentally by the polymerase chain reaction (PCR) and polyacrylamide gel electrophoresis (PAGE) in 44 typical indica and japonica rice varieties, including 93-11 and Nipponbare. A neutrality test of the data matrix generated from electrophoretic banding patterns of various InDel loci indicated that 34 InDel loci were strongly associated with the differentiation of indica and japonica rice. More extensive analyses involving cultivated rice varieties from 11 Asian countries, and 12 wild Oryza species with various origins confirmed that indica and japonica characteristics could accurately be determined via calculating the average frequency of indica- or japonica-specific alleles on different InDel loci across the rice genome. This method was named as the "InDel molecular index" that combines molecular and statistical methods in determining the indica and japonica characteristics of rice varieties. Compared with the traditional methods based essentially on morphology, the InDel molecular index provides a very accurate, rapid, simple, and efficient method for identifying indica and japonica rice. In addition, the InDel index can be used to determine indica or japonica characteristics of wild Oryza species, which largely extends the utility of this method. The InDel molecular index provides a new tool for the effective selection of appropriate indica or japonica rice germplasm in rice breeding. It also offers a novel model for the study of the origin, evolution, and genetic differentiation of indica and japonica rice adapted to various environmental changes.

  5. Bases Celulares y Moleculares del Desarrollo del Disco Epifisiario en la Especie Humana y sus Implicaciones en la Patologia Humana

    OpenAIRE

    García Cardona, Ananías

    2011-01-01

    El disco epifisiario, compuesto por cartílago, hueso, médula ósea y vasos sanguíneos; tiene diferentes funciones metabólicas y mecánicas. La organización de dichos tejidos se establece por varias etapas que ocurren durante las diferentes fases de crecimiento del ser humano. Los factores de crecimiento fibroblásticos (FGF), el factor transformante de crecimiento-8 (TGF-8), las proteínas morfogénicas óseas (BMPs), las familias de ligandos Hedgehog (Ihh) y los Wnts regulan al t...

  6. Bases moleculares del proceso de inducción génica por glucosa.

    OpenAIRE

    Tomás Cobos, Lidia

    2005-01-01

    RESUMEN Una característica esencial de la vida de todo organismo es la adaptación constante a los cambios que tienen lugar en su entorno. Para ello, esas variaciones ambientales deben ser leídas y traducidas en respuesta fisiológica. De ahí que, los organismos hayan desarrollado diversos mecanismos de integración, de amplificación y de mantenimiento de la señal del medio. La naturaleza de los mecanismos de señalización y respuesta celular varía en función de la complejidad del organismo. S...

  7. Bases moleculares del síndrome de Rett, una mirada actual

    OpenAIRE

    Pantaleón, G.

    2015-01-01

    El síndrome de Rett (SR) es un trastorno del neurodesarrollo que afecta casi exclusivamente a niñas y cursa secundariamente con autismo. Es poco frecuente y consta de 5 formas clínicas, una clásica y el resto atípicas que comprometen de manera general la habilidad manual, el lenguaje y la motricidad amplia unida a la aparición de estereotipias y epilepsia precoz. Con el objetivo de actualizar la información sobre SR, se aplicaron los descriptores de búsqueda Síndrome de Rett, genes y «Síndrom...

  8. Asociación HLA y artritis reumatoidea juvenil en busca de las bases moleculares dependiente del MHC /

    OpenAIRE

    Garavito de Egea, Gloria

    2004-01-01

    Consultable des del TDX Títol obtingut de la portada digitalitzada Artritis reumatoidea Juvenil (ARJ) es una enfermedad inflamatoria crónica, autoinmune que afecta a mas de una articulación en lugar y numero. Es una de las enfermedades más comunes en la consulta pediátrica reumatológica y una de las menos estudiadas desde el punto de vista inmunogenetico. En la literatura se ha reportado varias asociaciones de (HLA) Antigenos de Leucocitos Humanos y ARJ con diferentes grupos étnicos, so...

  9. Genética molecular del alcoholismo

    OpenAIRE

    Mauricio Rey-Buitrago

    2015-01-01

    El alcoholismo es una patología psiquiátrica compleja y de origen multifactorial en la que el factor genético explica alrededor del 50 % del fenómeno. Son numerosos los genes que se han asociado a esta enfermedad, pero su aporte individual es mínimo y contradictorio. Estos genes operan a través de características intermedias como la impulsividad y la sensibilidad al alcohol, lo que hace compleja la definición del fenotipo del alcoholismo. Los estudios de asociación de SNPs, de asociación a to...

  10. Bases moleculares y celulares del efecto antineoplásico del péptido CIGB-300 en células derivadas de tumores sólidos

    OpenAIRE

    Perera Negrin, Yasser

    2012-01-01

    El CIGB-300 es un péptido sintético seleccionado por su capacidad de inhibir la fosforilación catalizada por la enzima CK2 a través de la interacción con el sitio fosfoaceptor. Evidencias preliminares sugieren que el CIGB-300 es capaz de inhibir la proliferación celular y que retarda el crecimiento tumoral en un modelo singénico de cáncer. Sin embargo, la identidad del(los) blanco(s) molecular(es), y los efectos de la inhibición de su fosforilación sobre la célula tumoral no han sido caracter...

  11. Genética molecular del alcoholismo

    Directory of Open Access Journals (Sweden)

    Mauricio Rey-Buitrago

    2015-07-01

    Full Text Available El alcoholismo es una patología psiquiátrica compleja y de origen multifactorial en la que el factor genético explica alrededor del 50 % del fenómeno. Son numerosos los genes que se han asociado a esta enfermedad, pero su aporte individual es mínimo y contradictorio. Estos genes operan a través de características intermedias como la impulsividad y la sensibilidad al alcohol, lo que hace compleja la definición del fenotipo del alcoholismo. Los estudios de asociación de SNPs, de asociación a todo el genoma, de expresión y epigenéticos han identificado una amplia gama de variantes genéticas y epigenéticas, blancos para los estudios de susceptibilidad, diagnóstico y tratamiento farmacológico. Actualmente se comprenden mucho más estas relaciones y el desarrollo rápido de nuevas metodologías de estudio promete continuar este proceso, así como la generación de algoritmos de diagnóstico, prevención y tratamientos más acertados y confiables.

  12. In Silico Study of Ceftaroline’s Molecular Properties Estudio in silico de propiedades moleculares del ceftaroline

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    Elso Manuel Cruz Cruz

    2011-03-01

    Full Text Available Background: Ceftaroline is the latest developed cephalosporin. Its molecular modeling can help deepening the structural bases underpinning its pharmacological characteristics. Objective: to model structural and electronic properties of the ceftaroline. Method: a theoretical study using quantum mechanics methods was conducted in order to model the structure and electronic properties of the ceftaroline. Molecular geometry was optimized with semiempirical calculations according to parameterized model # 3. Molecular properties were calculated according to the Density Functional Theory. Densities of atomic charges and orbital borders were analyzed and compared to the ceftobiprole modeling. Results: the ceftaroline has a more compact and less elongated three-dimensional structure than the ceftobiprole. The positive charges densities on the carbonyl carbon are slightly lower than their equivalents in the ceftobiprole. Conclusions: an ethyl presence in the ceftaroline oxime group modifies its spatial configuration which makes it more compact and may influence its antibacterial action.Fundamento: El ceftaroline es la más novedosa cefalosporina que se ha desarrollado. Su modelación molecular permitirá profundizar en las bases estructurales que sustentan sus características farmacológicas. Objetivo: modelar propiedades estructurales y electrónicas del ceftaroline. Método: se realizó un estudio teórico con métodos de la mecánica cuántica para modelar la estructura y propiedades electrónicas del ceftaroline. Se optimizó la geometría molecular con cálculos semiempíricos, según el modelo parametrizado 3. Las propiedades moleculares se calcularon a partir de la teoría del funcional de la densidad. Se analizaron las densidades de cargas atómicas y los orbitales de frontera. Se comparó con la modelación del ceftobiprole. Resultados: el ceftaroline tiene una estructura

  13. Caracterización molecular del metabolismo del alantoato en judía (Phaseolus Vulgaris)

    OpenAIRE

    Diaz Leal, Juan Luis

    2012-01-01

    En plantas, la degradación del alantoato es un paso indispensable para el reciclaje de las bases nitrogenadas. Además, en las leguminosas tropicales, como judía y soja, los ureidos alantoína y alantoato son las formas mayoritarias de transporte del nitrógeno fijado y su acumulación se ha relacionado con la inhibición de la fijación de nitrógeno en condiciones de sequía. En este trabajo se ha identificado y caracterizado una alantoato amidohidrolasa (PvAAH) en judía. Los resulta...

  14. LIMITACIONES DEL VALOR Delta-v PARA LA DIFERENCIACIÓN DEL AMBIENTE QUÍMICO MOLECULAR

    Directory of Open Access Journals (Sweden)

    L Mabel Pacheco A

    2010-10-01

    Full Text Available Se revisan algunos métodos que relacionan la estructura con la propiedad QSPR (Quantitative structure property relationship y la relación de la estructura con la actividad QSAR (Quantitative Structure Activity Relationship. En particular, se analiza el algoritmo propuesto por Kier y Hall para el cálculo del índice de conectividad molecular y las limitaciones que presenta en cuanto a la valoración de pequeños cambios estructurales y el efecto numérico que estos pequeños cambios producen en el índice. Con base en lo anterior, se propone un cambio en el algoritmo de Kier y Hall a través de la consideración del cálculo de la población electrónica de cada átomo, por lo que se pasan a considerar las interacciones electrónicas que varían según la disposición en el espacio de todos los átomos y las características de los átomos enlazados. Los valores de los índices obtenidos se relacionan con el punto de ebullición de una serie de moléculas y se establece que el método de las poblaciones electrónicas presenta valores más aproximados a los experimentales.

  15. Carbon Nanotube Based Molecular Electronics

    Science.gov (United States)

    Srivastava, Deepak; Saini, Subhash; Menon, Madhu

    1998-01-01

    Carbon nanotubes and the nanotube heterojunctions have recently emerged as excellent candidates for nanoscale molecular electronic device components. Experimental measurements on the conductivity, rectifying behavior and conductivity-chirality correlation have also been made. While quasi-one dimensional simple heterojunctions between nanotubes with different electronic behavior can be generated by introduction of a pair of heptagon-pentagon defects in an otherwise all hexagon graphene sheet. Other complex 3- and 4-point junctions may require other mechanisms. Structural stability as well as local electronic density of states of various nanotube junctions are investigated using a generalized tight-binding molecular dynamics (GDBMD) scheme that incorporates non-orthogonality of the orbitals. The junctions investigated include straight and small angle heterojunctions of various chiralities and diameters; as well as more complex 'T' and 'Y' junctions which do not always obey the usual pentagon-heptagon pair rule. The study of local density of states (LDOS) reveal many interesting features, most prominent among them being the defect-induced states in the gap. The proposed three and four pointjunctions are one of the smallest possible tunnel junctions made entirely of carbon atoms. Furthermore the electronic behavior of the nanotube based device components can be taylored by doping with group III-V elements such as B and N, and BN nanotubes as a wide band gap semiconductor has also been realized in experiments. Structural properties of heteroatomic nanotubes comprising C, B and N will be discussed.

  16. Marcadores moleculares y ecología del movimiento

    OpenAIRE

    Robledo Arnuncio, Juan José; González Martínez, Santiago César

    2009-01-01

    El estudio del movimiento es parte esencial del análisis ecológico a nivel de gen, individuo, población, comunidad y ecosistema. Los marcadores de ADN son herramientas muy útiles para el estudio del movimiento a todos estos niveles, permitiendo, por ejemplo, establecer relaciones de parentesco entre individuos, determinar el origen poblacional de individuos migrantes, estudiar sistemas de apareamiento, cuantificar la escala de interacciones interespecíficas, o caracterizar el patrón espacial ...

  17. Estimación del sexo a nivel molecular en restos esqueléticos humanos

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    N. Izagirre

    2001-01-01

    Full Text Available La estimación del sexo de restos humanos de procedencia se ha venido realizando mediante el análisis morfológico de los restos esqueléticos. Sin embargo este tipo de análisis resulta inapropiado para el caso de individuos infantiles o en el caso de restos fragmentados. En este trabajo proponemos un nuevo método alternativo de estimación del sexo mediante la aplicación de las técnicas moleculares al ADN antiguo. Proponemos la amplificación de un pequeño fragmento del gen de la amelogenina, presente tanto en el cromosoma X como en el Y, el cual presenta dimorfismo de longitud: en el cromosoma X una banda de 106 pares de bases de longitud y el cromosoma Y una banda de 112 pares de cases de longitud. La aplicación de esta metodología a restos esqueléticos ha demostrado ser útil, permitiendo estimar el sexo de forma reproducible en restos de hasta 5.000 años de antigüedad.

  18. Información molecular obtenida a partir de pieles de la colección del Museo Regional Fagnano, Río Grande, Tierra del Fuego

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    Petrigh, Romi

    2014-10-01

    Full Text Available En el presente trabajo se aplicaron técnicas moleculares sobre muestras poco conservadas de pieles depositadas en la colección del Museo Regional Monseñor Fagnano, Tierra del Fuego, Argentina, con el objetivo de identificar la especie con la que fueron confeccionadas. Se extrajeron pelos de mantas realizadas con pieles de guanaco (Lama guanicoe por Selk’nam y de una piel de puma (Puma concolor procedente de la provincia de Santa Cruz. Ambas muestras se encontraban almacenadas en el Museo Regional Monseñor Fagnano y en la Misión Salesiana Candelaria en Rio Grande, Tierra del Fuego, Argentina. La extracción de ADN de los fragmentos de pelos de 5mm de longitud se realizó en un buffer de lisis PCR-compatible. Se amplificaron por PCR fragmentos específicos de ADN mitocondrial y se secuenciaron. Las secuencias fueron comparadas con las depositadas en la base de secuencias de nucleótidos del National Center for Biotechnology Information (NCBI de Estados Unidos. La aplicación de técnicas moleculares permitió recuperar secuencias de ADN de muestras de pieles con un estado de conservación poco óptimo para análisis genéticos, pudiendo extenderse a otras fuentes de pelos como las fibras textiles de origen arqueológico de la región.

  19. Marcadores moleculares y ecología del movimiento

    Directory of Open Access Journals (Sweden)

    J.J. Robledo-Arnuncio

    2009-01-01

    Full Text Available El estudio del movimiento es parte esencial del análisis ecológico a nivel de gen, individuo, población, comunidad y ecosistema. Los marcadores de ADN son herramientas muy útiles para el estudio del movimiento a todos estos niveles, permitiendo, por ejemplo, establecer relaciones de parentesco entre individuos, determinar el origen poblacional de individuos migrantes, estudiar sistemas de apareamiento, cuantificar la escala de interacciones interespecíficas, o caracterizar el patrón espacial de la dispersión y la competencia. A nivel de gen, los marcadores de ADN son imprescindibles para estudiar la estructura y el flujo genético dentro y entre poblaciones, así como su efecto combinado con otras fuerzas evolutivas y los factores bióticos y abióticos del medio sobre la adaptación local. En este artículo se revisan algunos métodos basados en marcadores de ADN que pueden resultar de utilidad en ecología del movimiento, identificándose áreas de estudio en las que se espera estos marcadores sean de especial utilidad en los próximos años.

  20. Gastrointestinal stromal tumors (GIST: Role of the surgeon in the molecular medicine era Tumores del estroma gastrointestinal (GIST: papel del cirujano en la era de la medicina molecular

    Directory of Open Access Journals (Sweden)

    Juan Pablo Toro Vásquez

    2010-08-01

    issue. This article is an update on GISTs based on the available literature.

     

    Los tumores del estroma gastrointestinal (GIST, por la sigla en inglés de gastrointestinal stromal tumors son neoplasias no epiteliales del tubo digestivo y del mesenterio caracterizadas por un patrón histológico y de inmunohistoquímica específico. Hasta 1983 se las clasificaba erróneamente como leiomiomas, leiomioblastomas y leiomiosarcomas; en ese año Mazur y Clark acuñaron el término “tumor estromal”. Los GIST constituyen menos del 1% de los tumores malignos del tracto gastrointestinal y el 5% de los todos los sarcomas, con una incidencia de 0,68/100.000 habitantes. Se ha

    documentado que estos tumores son el resultado de mutaciones de los protoncogenes c-Kit y PDGFRα que alteran las cascadas de señales intracelulares. Pueden ocurrir desde el esófago hasta el ano y su forma de presentación clínica depende de la localización y el tamaño. Los GIST primarios son de tratamiento quirúrgico, mientras que en la fase avanzada se puede recurrir a la terapia molecular dirigida, luego del desarrollo del mesilato de imatinib. Hay controversia sobre las terapias adyuvante y neoadyuvante. El presente artículo es una actualización sobre los GIST con base en la literatura disponible al respecto.

     

  1. DESCIFRANDO LAS BASES MOLECULARES DE LA RESISTENCIA CUANTITATIVA Deciphering the Molecular Bases of Quantitative Resistance

    Directory of Open Access Journals (Sweden)

    CAMILO LÓPEZ

    2011-08-01

    Full Text Available Uno de los factores que más afectan los cultivos son las enfermedades ocasionadas por patógenos. La resistencia vegetal ha sido clásicamente dividida en dos tipos: i completa, vertical o cualitativa que es gobernada por un solo gen e ii incompleta, horizontal o cuantitativa la cual es gobernada por varios genes. Aunque la resistencia cuantitativa provee resistencia de amplio espectro y es durable, los mecanismos moleculares subyacentes no han sido estudiados en detalle. En esta revisión se propone un modelo basado en co-localización de genes similares a los genes clásicos de resistencia cualitativa con QTLs (Quantitative Trait Loci para explicar el mecanismo involucrado en el reconocimiento del patógeno durante la resistencia cuantitativa. Además se presenta información acerca del progreso obtenido en los últimos tres años para entender este tipo de resistencia, lo que culminó con la clonación de varios genes asociados a resistencia cuantitativa. En conjunto, estos datos proveen nuevas luces sobre la naturaleza genética de este tipo de resistencia y de cómo puede ser empleada en programas de mejoramiento genético.Plant pathogens are some of the most important factors affecting crop production. Classically two general types of plant resistance to pathogens have been recognized: i complete, vertical or qualitative resistance governed by a single gene; and ii incomplete, horizontal or quantitative resistance, which is governed by several genes. Although quantitative resistance provides broad spectrum and more durable resistance, the underlying molecular mechanism involved in pathogen recognition has not been deeply studied. In this review, we proposed a model to explain the molecular mechanism involved in the pathogen recognition during the quantitative resistance. This is based on the co-localization of similar classical qualitative resistance genes with QTL (Quantitative Trait Loci. In addition, information is presented about the

  2. Filogènia Molecular dels Bilaterals: una aproximació multigènica.

    OpenAIRE

    Paps Montserrat, Jordi

    2008-01-01

    S:Als darrers 10 anys, el nostre coneixement de l'evolució dels animals ha estat objecte d'una revolució degut a l'aplicació de la Biologia Molecular al camp de la Filogènia, que ha rebutjat algunes hipòtesis antigues i n'ha proposat de noves. Un dels canvis més importants és el que subdivideix a tots els animals amb simetria bilateral (els Bilateria) en tres grups: els Lophotrochozoa, els Ecdysozoa y els Deuterostomata. Malgrat el gran cabdal d'informació que han suposat, les dades molecular...

  3. Molecular diagnosis of human papillomavirus in the development of cervical cancer Diagnóstico molecular del virus del papiloma humano en el desarrollo del cáncer cervical

    Directory of Open Access Journals (Sweden)

    Lourdes Gutiérrez-Xicoténcatl

    2009-01-01

    Full Text Available Cervical cancer (CC is a major public health problem in developing countries and its most significant etiological risk factor is infection by the human papillomavirus (HPV. The main approach to date for the prevention of CC has been through screening programs, using the cervical smear (PAP test to detect precursory lesions. The sensitivity and specificity of the PAP smear depend on the skills of the observer to recognize and classify a variety of cellular abnormalities. The development of early diagnoses to detect HPV infection has been a problem as cytology and colposcopy identify the lesion at an advanced stage. Therefore, molecular approaches have become more successful for early CC diagnosis. These molecular techniques recognize HPV DNA sequences by DNA hybridization, PCR-RFLP, hybrid capture and reverse line blot systems. Unfortunately, these systems cannot determine whether the HPV infection is active, latent or persistent. Thus, immunological techniques such as Western blot and ELISA have been designed to follow the immune response against the virus, and they can also be used to identify the stage of the infection. Several companies have developed, manufactured and merchandised gene-based testing systems for the screening, monitoring and diagnosis of HPV. Our review and comments focus on the critical analysis of existing products and their use in clinical practice as well as on immunological systems used mainly in research, but that may be applied in large population screening programs.El cáncer cervical (CC es el mayor problema de salud pública en países en vías de desarrollo, al ser la infección por el virus del papiloma humano (HPV el factor etiológico más importante de esta enfermedad. Actualmente, el principal acercamiento para la prevención del CC ha sido a través de programas de detección oportuna del cáncer, lo cual se ha realizado a través del estudio citológico del Papanicolaou (Pap para la detección de lesiones

  4. [Molecular bases of cancer immunology].

    Science.gov (United States)

    Barrera-Rodríguez, R; Peralta-Zaragoza, O; Madrid-Marina, V

    1995-01-01

    The immune system is a tight network of different types of cells and molecules. The coordinated action of these elements mounts a precise immune response against tumor cells. However, these cells present several escape mechanisms, leading to tumor progression. This paper shows several cellular and molecular events involved in the regulation of the immune response against tumor cells. The interaction of several molecules such as MHC, TcR, adhesins, tumor antigens and cytokines are discussed, as well as the most recent knowledge about escape mechanisms and immunotherapy. PMID:7502157

  5. Molecular con Base a sus Trayectorias

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    H. Castañeda Marín

    2007-01-01

    Full Text Available En la Dinámica Molecular (DM una configuración sucesiva es generada mediante la integración de las leyes de movimiento de Newton, las trayectorias resultantes nos dan información acerca de como las posiciones y velocidades de las partículas en el sistema cambian con el transcurso del tiempo, en este contexto lo que mayor costo computacional exige es la determinación de las fuerzas aplicadas a cada partícula en su respectiva posición. Generalmente en la DM se suelen utilizar modelos simples, donde todas las colisiones son elásticas y ocurren cuando las separaciones entre los centros de las partículas son iguales al punto de discontinuidad del potencial Al utilizar potenciales continuos la fuerza y la posición de las partículas dependen de la interacción con las restantes partículas del sistema generando una interaccion de muchos cuerpos, por lo que no es posible solucionar analíticamente tal problema lo cual implica el uso de diferencias finitas. La principal tarea en el método propuesto es particionar un número de objetos dinámicos en un pequeño numero de clústeres, de tal forma que los objetos en cada cluster sean en lo más posible similares y los objetos en diferentes clústeres son lo menos similares. El problema más importante en este contexto es la selección de una medida de similaridad pertinente, la cual será utilizada como criterio de agrupamiento. El objetivo mas amplio del trabajo consiste en el análisis de un sistema molecular donde buscamos capturar importantes eventos por ejemplo la desintegración y fusión de defectos, la técnica utilizada es el reconocimiento de patrones temporales difusos. El problema más importante que se presenta en este contexto es la opción de una medida relevante de la similaridad, que se utiliza para la definición del criterio de agrupamiento.

  6. Epidemiología molecular del dengue en las Américas

    Directory of Open Access Journals (Sweden)

    Francisco Javier Díaz Castrillón

    2004-03-01

    un genotipo de DENV-1 y uno de DENV-4 introducidos en 1977 y 1981 respectivamente. Una cepa de DENV-3 que circuló en los 60 y 70 se extinguió y tal serotipo estuvo ausente del hemisferio occidental durante 17 años. Un genotipo diferente de DENV-3 fue introducido en 1994 en Centroamérica y se ha ido diseminando a otros países.

    Con respecto a DENV-2 la situación es más compleja. Este serotipo ha estado presente permanentemente en las Américas durante al menos cincuenta años. Todos los aislamientos obtenidos hasta los años 80 mostraban un único subtipo. A partir de entonces, uno o varios genotipos fueron introducidos en este continente, inicialmente en las Antillas, luego en Suramérica y más tarde en Centroamérica. Estos genotipos parecen haber desplazado completamente al antiguo genotipo nativo de la región. Estudios de epidemiología molecular permiten postular la procedencia y las rutas de introducción y diseminación de las cepas virales. Se ha podido establecer que los genotipos de DENV-2, DENV-3 y DENV-4 más recientemente introducidos en las Américas son originarios del sureste asiático, África y Oceanía, respectivamente. Sin embargo, el origen del DENV-1 y algunos aislamientos de DENV-2 no han podido establecerse con claridad.

    La migración de los nuevos genotipos de DENV-2 coincide temporalmente con la aparición de la FHD en la mayoría de los casos, por lo que se ha postulado que dichas cepas son más virulentas. La introducción del nuevo genotipo de DENV-3 también coincide con la llegada de la FHD a Centroamérica y Méjico. Así, la epidemiología molecular también provee una primera aproximación a las bases moleculares de la virulencia y permite formular hipótesis sobre mutaciones específicas como responsables de los cambios fisiopatológicos de la FHD. Sin embargo, no toda la

  7. CARACTERIZACIÓN MOLECULAR PARCIAL DEL VIRUS DEL MOTEADO DEL CLAVEL (CarMV) PRESENTE EN LA SABANA DE BOGOTÁ

    OpenAIRE

    Ana Yervid Rodríguez; Orlando Acosta; José Peñaranda

    2000-01-01

    En el presente trabajo se realizó un estudio del virus moteado del clavel (CarMV), en el cual se analizaron con la prueba de ELISA muestras de clavel de diferentes variedades de la Sabana de Bogotá. Esta prueba indicó que el82% de las muestras analizadas eran positivas para el CarMV. El CarMV presente en las muestras positivas fue inoculado mecánicamente en plantas de clavel certificadas libres de virus. La partícula viral se purificó utilizando centrifugación en gradientes y colchones de sac...

  8. Cytogenetic and molecular predictors of response in patients with myeloid malignancies without del[5q] treated with lenalidomide

    Directory of Open Access Journals (Sweden)

    Sugimoto Yuka

    2012-03-01

    Full Text Available Abstract Background While lenalidomide (LEN shows high efficacy in myelodysplastic syndromes (MDS with del[5q], responses can be also seen in patients presenting without del[5q]. We hypothesized that improved detection of chromosomal abnormalities with new karyotyping tools may better predict response to LEN. Design and methods We have studied clinical, molecular and cytogenetic features of 42 patients with MDS, myeloproliferative neoplasms (MPN, MDS/MPN overlap syndromes and secondary acute myeloid leukemia (sAML without del[5q] by metaphase cytogenetics (MC who underwent therapy with LEN. Results Fluorescence in situ hybridization (FISH or single nucleotide polymorphism array (SNP-A-based karyotyping marginally increased the diagnostic yield over MC, detecting 2/42 (4.8% additional cases with del[5q], one of whom were responded to LEN. Responses were more often observed in patients with a normal karyotype by MC (60% vs abnormal MC; 17%, p = .08 and those with gain of chromosome 8 material by either of all 3 karyotyping methods (83% vs all other chromosomal abnormalities; 44% p = .11. However, 5 out of those 6 patients received combined LEN/AZA therapy and it may also suggest those with gain of chromosome 8 material respond well to AZA. The addition of FISH or SNP-A did not improve the predictive value of normal cytogenetics by MC. Mutational analysis of TET2, UTX, CBL, EZH2, ASXL1, TP53, RAS, IDH1/2, and DNMT-3A was performed on 21 of 41 patients, and revealed 13 mutations in 11 patients, but did not show any molecular markers of responsiveness to LEN. Conclusions Normal karyotype and gain of chromosome 8 material was predictive of response to LEN in non-del[5q] patients with myeloid malignancies.

  9. Marcadores moleculares que se expresan en el fruto del olivo

    OpenAIRE

    Rodríguez García, María I.; Alché Ramírez, Juan de Dios; Hamman-Khalifa, Abdel Mounim; Butowt, R.; Jiménez-López, José Carlos; Wang, Wei; Castro López, Antonio Jesús

    2004-01-01

    [EN] With the aim of setting new molecular markers of certain function in the olive, several genes expressed during olive fruit ripening have been isolated and characterized, also analyzing temporal an spatial expression of such genes. Among other, the following marker genes have been analyzed: Δ9- stearoyl-ACP-desaturase, a key enzyme for fatty acid biosynthesis; a putative plastidic glucose translocator (pGlcT) expressed in non-photosynthetic tissues like the mature olive fruit;...

  10. Estudio del comportamiento del ozono superficial en la base antártica de Belgrano

    OpenAIRE

    Navarro Comas, Mónica

    2015-01-01

    [ES]La presente investigación recoge un exhaustivo examen del comportamiento del ozono superficial y de los eventos significativos de disminución de ozono (ODEs) que tienen lugar en Belgrano (77º 52' S, 34º 37' O), una región poco explorada del mar de Weddell. El análisis ha sido realizado a partir de los datos de ozono en superficie y perfiles de ozono proporcionados por los ozonosondeos realizados en la base Antártica de Belgrano. En el estudio se han empleado otros datos complementarios, t...

  11. DNA-based applications in molecular electronics

    OpenAIRE

    Linko, Veikko

    2011-01-01

    This thesis is mainly focused on DNA molecules and especially on self-assembled DNA constructs and their potential applications in nanotechnology and molecular electronics. In the field of molecular electronics the conductivity of DNA is a crucial - yet open - question, and it is of great concern, since DNA is a very promising molecule in a context of bottom-up based nanodevices due to its superior selfassembly characteristics. A key tool in all the experiments presented in ...

  12. Qt-based Molecular Graphics Application (QMGA)

    OpenAIRE

    Gabriel, A. T.; Meyer, T.; Germano, G.

    2007-01-01

    Coarse-grained modeling of molecular fluids is often based on non-spherical convex rigid bodies like ellipsoids or spherocylinders representing rodlike or platelike molecules or groups of atoms, with site-site interaction potentials depending both on the distance among the particles and the relative orientation. In this category of potentials, the Gay-Berne family has been studied most extensively. However, conventional molecular graphics programs are not designed to visualize such objects. U...

  13. Molecular magnetic materials based on porphyrin macrocyles

    OpenAIRE

    ÖNAL, Emel

    2014-01-01

    The preparation of Molecule-Based Magnets is based on the assembling carriers of magnetic moment. These may be the metal ions only with diamagnetic linkers or the metal ions connected through open-shell organic molecule. The building of novel Molecule-Based Magnets architectures following the metal-radical approach relies on the design of innovative open-shell organic molecular blocks. In this regard, we focus our strategy on the synthesis of porphyrins incorporating free radicals. Indeed, po...

  14. Identificación In Silico del mimetismo molecular entre Epitopes T de Neisseria meningitidis B y el proteoma humano

    Directory of Open Access Journals (Sweden)

    Alexander Batista-Duharte

    2013-09-01

    Full Text Available El objetivo del estudio fue determinar los epítopes T de cuatro de las proteínas antigénicas más frecuentes de la membrana externa de Neisseria meningitidis B e identificar los sitios más relevantes donde existe mimetismo molecular para estos epítopes en seres humanos. Para ello se realizó un estudio in silico (estudios que usan herramientas bioinformáticas usando las bases de datos SWISS-PROT/TrEMBL SYFPEITHI y FASTA, las cuales se emplearon para la determinación de las secuencias proteicas, la predicción de los epítopes T CD4 y CD8, y la determinación del mimetismo molecular en humanos, respectivamente. Se encontró similitud molecular en varias proteínas humanas presentes en diferentes órganos y tejidos, entre ellos: hígado, piel y epitelios, cerebro, sistema linfático y testículos, destacando las encontradas en estos últimos, ya que ellas mostraron la frecuencia más alta de secuencias miméticas. Este hallazgo ayuda a comprender el éxito de N. meningitidis B para colonizar tejidos humanos, el fracaso de ciertas vacunas contra esta bacteria e incluso ayuda a explicar posibles reacciones autoimmunes asociadas a la infección o vacunación.

  15. Environmental Phosphorus Recovery Based on Molecular Bioscavengers

    DEFF Research Database (Denmark)

    Gruber, Mathias Felix

    technology based on biological phosphorus scavengers, to examine fundamental molecular system aspects relevant for such a technology, and to motivate the use of computational techniques throughout an iterative design process of such a technology. A wide spectrum of computational methods, from atomic...... characteristic amino acid distributions of the binding sites. Quantum mechanical methods are used to investigate how phosphate moieties are described using electronic structure methods, and molecular dynamics in combination with quantum mechanics are used to show how the dynamical interaction between phosphates......-scale quantum calculations to macro-scale fluid simulations, are employed to hint at the potential of a recovery technology based on molecular bioscavengers. As a first approach, data mining is used to obtain statistical information about how proteins in nature interact with phosphate groups, thereby revealing...

  16. Observaciones Fotometricas EN Bandas Moleculares del Cometa Halley

    Science.gov (United States)

    Claria, J. J.; Sistero, R. F.; Lapasset, E.

    1987-05-01

    Results from narrow-band photoelectric photometry of comet Halley after its perihelion passage are presented. The mean atmospheric extinction coefficients determined at Bosque Alegre for six bands between 3600 and 5200 Å are consistent with those of the UBV and DD0 systems. The largest fluxes measured successively correspond to the molecules of C2 , CN, and C3 . The CN emission is typically 70% of the one C2, while the one of C3 is about 20% . The observations show that : (i) There is no detectable contribution of molecular ions CO+ during the period in consideration. (ii) Between March 15 and 22 of 1986 there is a decrease in the proportion of molecules of C2,CN,andC3, with respect to the presence of dust indicate by the continuum. Similar decreases, observed with a P = 6d.1 ± 0d.2, coincide with disconnection events detected from Bosque Alegre and other observatories. If they correspond to the frequency of passage of magnetic solar sectors by the comet, a solar "synodic" rotation Pc = 4P = 24d.4±0d.8, with respect to the comet, is deduced. This value is in excellent agreement with the mean value of the apparent solar rotation with respect to the comet.

  17. Calixarene-based receptors for molecular recognition

    OpenAIRE

    YILMAZ, Mustafa; ERDEMİR, Serkan

    2013-01-01

    Calixarene-based molecular receptors have been a widely developing area in material science and technology for the last few decades. Due to their bowl-shaped geometry, calixarene macrocycles are used as hosts allowing organic and inorganic guests to coordinate/sorb onto their cavity. This work briefly reviews the recent development of calixarenes.

  18. Molecular mechanisms of glucocorticoid receptor signaling Mecanismos moleculares de señalización del receptor de glucocorticoides

    Directory of Open Access Journals (Sweden)

    Marta Labeur

    2010-10-01

    Full Text Available This review highlights the most recent findings on the molecular mechanisms of the glucocorticoid receptor (GR. Most effects of glucocorticoids are mediated by the intracellular GR which is present in almost every tissue and controls transcriptional activation via direct and indirect mechanisms. Nevertheless the glucocorticoid responses are tissue -and gene- specific. GR associates selectively with corticosteroid ligands produced in the adrenal gland in response to changes of humoral homeostasis. Ligand interaction with GR promotes either GR binding to genomic glucocorticoid response elements, in turn modulating gene transcription, or interaction of GR monomers with other transcription factors activated by other signalling pathways leading to transrepression. The GR regulates a broad spectrum of physiological functions, including cell differentiation, metabolism and inflammatory responses. Thus, disruption or dysregulation of GR function will result in severe impairments in the maintenance of homeostasis and the control of adaptation to stress.Esta revisión destaca los más recientes hallazgos sobre los mecanismos moleculares del receptor de glucocorticoides (GR. La mayoría de los efectos de los glucocorticoides son mediados por los GR intracelulares presentes en casi todos los tejidos y controlan la activación transcripcional por mecanismos directos e indirectos. Las respuestas a los glucocorticoides son específicas para cada gen y tejido. Los GR se asocian en forma selectiva con ligandos producidos en la glándula adrenal, corticosteroides, en respuesta a cambios neuroendocrinos. La interacción del ligando con el GR promueve: a la unión del GR a elementos genómicos de respuesta a glucocorticoides, modulando la transcripción; b la interacción de monómeros del GR con otros factores de transcripción activados por otras vías, llevando a la transrepresión. El GR regula un amplio espectro de funciones fisiológicas, incluyendo la

  19. A nanoplasmonic switch based on molecular machines

    KAUST Repository

    Zheng, Yue Bing

    2009-06-01

    We aim to develop a molecular-machine-driven nanoplasmonic switch for its use in future nanophotonic integrated circuits (ICs) that have applications in optical communication, information processing, biological and chemical sensing. Experimental data show that an Au nanodisk array, coated with rotaxane molecular machines, switches its localized surface plasmon resonances (LSPR) reversibly when it is exposed to chemical oxidants and reductants. Conversely, bare Au nanodisks and disks coated with mechanically inert control compounds, do not display the same switching behavior. Along with calculations based on time-dependent density functional theory (TDDFT), these observations suggest that the nanoscale movements within surface-bound "molecular machines" can be used as the active components in plasmonic devices. ©2009 IEEE.

  20. Nonadiabatic Molecular Dynamics Based on Trajectories

    Directory of Open Access Journals (Sweden)

    Felipe Franco de Carvalho

    2013-12-01

    Full Text Available Performing molecular dynamics in electronically excited states requires the inclusion of nonadiabatic effects to properly describe phenomena beyond the Born-Oppenheimer approximation. This article provides a survey of selected nonadiabatic methods based on quantum or classical trajectories. Among these techniques, trajectory surface hopping constitutes an interesting compromise between accuracy and efficiency for the simulation of medium- to large-scale molecular systems. This approach is, however, based on non-rigorous approximations that could compromise, in some cases, the correct description of the nonadiabatic effects under consideration and hamper a systematic improvement of the theory. With the help of an in principle exact description of nonadiabatic dynamics based on Bohmian quantum trajectories, we will investigate the origin of the main approximations in trajectory surface hopping and illustrate some of the limits of this approach by means of a few simple examples.

  1. Asociación Molecular y Función del Surfactante Pulmonar de Ternera

    Directory of Open Access Journals (Sweden)

    María del Lurdez C. Martínez Montaño

    2005-01-01

    Full Text Available El surfactante pulmonar es un material con alta actividad de superficie compuesto de fosfolípidos, lípidos neutros y proteínas que se encuentra en la superficie alveolar de los pulmones y facilita la ventilación alveolar y el intercambio de gases a presiones fisiológicas. La organización molecular de los componentes del surfactante aislado a partir de pulmones de ternera fue analizado por calorimetría diferencial de barrido y por dispersión dinámica de luz y posteriormente comparado con los componentes organizados en liposomas uni y multilamelares. El síndrome de dificultad respiratoria desarrollado en cobayos fue usado para probar la actividad de superficie. Los estudios de calorimetría mostraron que las interacciones lípido proteína fueron considerablemente abatidas en el surfactante nativo, como se comparó con los de surfactante en forma de liposomas uni o multilamelares. Los experimentos de dispersión dinámica de luz indicaron que el surfactante nativo tiene una forma fibrilar con interacciones limitadas entre lípidos y proteínas, lo que sugiere que se encuentra organizado en una estructura en forma de reja formando una película de estructura estable. Nuestros resultados resaltan la importancia de la organización molecular nativa del surfactante; cuando el surfactante reconstituído como liposomas uni- o multilamelares fue administrado a los animales bajo dificultad respiratoria, ellos no se recuperaron. En contraste, cuando el surfactante nativo fue usado para tratar a los animales enfermos, los valores del pH arterial y de PaCO2 mejoraron casi hasta alcanzar los valores normales. Es importante enfatizar que los pasos seguidos en nuestro protocolo de aislamiento del surfactante pulmonar de ternera nos permitió obtenerlo en una forma molecular fisiológicamente activa.

  2. Towards the molecular bases of polymerase dynamics

    International Nuclear Information System (INIS)

    One aspect of the strong relationship that is known to exist between the processes of DNA replication and transcription is manifest in the coupling of the rates of movement of the replication fork (rf) and RNA polymerase (rt). We address two issues concerning the largely unexplored area of polymerase dynamics: (i) The validity of an approximate kinematic formula linking rf and rt suggested by experiments in which transcription is initiated in some prokaryotes with the antibiotic streptolydigin, and (ii) What are the molecular bases of the kinematic formula? An analysis of the available data suggests possible molecular bases for polymerase dynamics. In particular, we are led to a hypothesis: In active chromatin rt may depend on the length (λt) of the transcript of the primary messenger RNA (pre-mRNA). This new effect is subject to experimental verification. We discuss possible experiments that may be performed in order to test this prediction. (author). Refs, 6 tabs

  3. Molecular profiling of neurons based on connectivity.

    Science.gov (United States)

    Ekstrand, Mats I; Nectow, Alexander R; Knight, Zachary A; Latcha, Kaamashri N; Pomeranz, Lisa E; Friedman, Jeffrey M

    2014-05-22

    The complexity and cellular heterogeneity of neural circuitry presents a major challenge to understanding the role of discrete neural populations in controlling behavior. While neuroanatomical methods enable high-resolution mapping of neural circuitry, these approaches do not allow systematic molecular profiling of neurons based on their connectivity. Here, we report the development of an approach for molecularly profiling projective neurons. We show that ribosomes can be tagged with a camelid nanobody raised against GFP and that this system can be engineered to selectively capture translating mRNAs from neurons retrogradely labeled with GFP. Using this system, we profiled neurons projecting to the nucleus accumbens. We then used an AAV to selectively profile midbrain dopamine neurons projecting to the nucleus accumbens. By comparing the captured mRNAs from each experiment, we identified a number of markers specific to VTA dopaminergic projection neurons. The current method provides a means for profiling neurons based on their projections. PMID:24855954

  4. Decimal Integer Multiplication based on Molecular Beacons

    Directory of Open Access Journals (Sweden)

    Jing Wang

    2013-12-01

    Full Text Available Due to the enhancement of circuit integration level, and the accelerating of working frequency of traditional computer, it requires components dimension must be constantly decreased. So encapsulation, etching and other problems of chip are becoming more and more difficult to solve, which causes its performance also become unstable. In order to overcome this problem, DNA computing as a new kind of molecular computing mode, with its high parallelism, huge amounts of storage capacity, low energy consumption advantages has received extensive attention. Being the same with traditional electronic computer, DNA computer is composed by arithmetic operations such as addition, subtraction, multiplication and dividing and basic logic units such as AND, OR, NON gate. This paper puts forward a new method to realize decimal integer multiplication based on molecular beacons. The algorithm firstly converts decimal integer to binary number, and then resolves the multiplication process into multiplication of current bit and addition of intermediate result after shifting two steps. Molecular beacon is used as multiplying unit, coding sequence is used as multiplier in this method. Based on the working principle of molecular beacon, multiplication operation of two one-bit binary is simulated. And by recording fluorescence status of molecular beacon to observe intermediate result and carry-bit situation, the final result can be obtained through addition after shifting. Examples prove that this method can realize decimal integer multiplication rapidly and accurately. This method is similar to multiplication system in traditional electronic computer, and it provides a simple, easier operation method for DNA computer to realize arithmetic operation.

  5. Progress on RNAi-based molecular medicines

    OpenAIRE

    Chen J; Xie JP

    2012-01-01

    Jing Chen, Jianping XieInstitute of Modern Biopharmaceuticals, State Key Laboratory Breeding Base of Ministry of Education Eco-Environment of the Three Gorges Reservoir Region, School of Life Sciences, Southwest University, Chongqing, ChinaAbstract: RNA interference (RNAi) is a promising strategy to suppress the expression of disease-relevant genes and induce post-transcriptional gene silencing. Their simplicity and stability endow RNAi with great advantages in molecular medicine. Several RNA...

  6. Fullerene based devices for molecular electronics

    OpenAIRE

    G. Cuniberti; R. GUTIERREZ; Fagas, G.; Grossmann, F.; Richter, K; Schmidt, R.

    2001-01-01

    We have investigated the electronic properties of a C_60 molecule in between carbon nanotube leads. This problem has been tackled within a quantum chemical treatment utilizing a density functional theory-based LCAO approach combined with the Landauer formalism. Owing to low-dimensionality, electron transport is very sensitive to the strength and geometry of interfacial bonds. Molecular contact between interfacial atoms and electrodes gives rise to a complex conductance dependence on the elect...

  7. LÍNEA DE BASE DEL SISTEMA PENAL ECUATORIANO

    OpenAIRE

    Miguel Angel Valarezo Tenorio; Darío Alcídez Díaz Toledo; Jorge Alonso Benítez Hurtado

    2011-01-01

    RESUMO En el año 2000, el Ecuador cambió su sistema procesal penal de tipo inquisitivo por uno de corte acusatorio. Para determinar el funcionamiento del mismo se debía levantar una línea de base recogiendo en una base de datos algunos indicadores del proceso penal. A partir de este conjunto de datos y variables iniciales, se hizo factible la elaboración de un sistema informático procesal penal ecuatoriano (SIPPE) que permite elaborar un análisis de componentes principales. En nuestro caso, l...

  8. Encuesta sobre el servidor de bases de datos del CSIC

    OpenAIRE

    Baranda, Piedad

    2002-01-01

    El servidor de bases de datos del CSIC está formado por cerca de 40 bases de datos de todas las disciplinas científicas que las bibliotecas de los diferentes centros de investigación venían suscribiendo desde hacía años para la consulta de sus investigadores. La organización del servidor no es pues, el resultado de una selección rigurosa previa atendiendo a las demandas y necesidades de los potenciales usuarios interesados.

  9. Bases neuromédicas del dolor

    Directory of Open Access Journals (Sweden)

    José Mª. Pedrajas Navas

    2008-01-01

    Full Text Available El dolor es una experiencia sensitiva y emocional desagradable asociada a una lesión tisular real o potencial o descrita en términos de tal daño. El dolor se puede clasificar por numerosos criterios; por su aspecto temporal se habla de dolor crónico cuando persiste más de tres meses, aunque el criterio más importante para su diagnóstico es su relación con aspectos cognitivos y conductuales. La señal dolorosa es recogida por los nociceptores y enviada hacia el Sistema Nervioso Central pasando por varias estaciones; la primera situada en los ganglios espinales dorsales, la segunda en el asta dorsal de la médula espinal, la tercera en diversas estructuras subcorticales, entre las que destaca el tálamo, y la cuarta, en la corteza cerebral, sobre todo, la corteza somatosensorial, la circunvolución cingulada anterior, la ínsula, la corteza prefrontal y parietal inferior. En estas estructuras se originan la percepción consciente del dolor y las actividades subconscientes y respuestas neuromoduladoras efectoras, endocrinas y emocionales, iniciadas consciente o inconscientemente. La experiencia dolorosa tiene tres dimensiones, la sensitivo-discriminativa, la cognitivo- evaluadora y la afectivo-emocional. Antes de iniciar un tratamiento analgésico es fundamental una meticulosa evaluación del mismo. Se debe seguir una estrategia general para abordar el dolor crónico (evaluar antes de tratar, iniciar tratamiento combinado, promover el cumplimiento terapéutico y prevenir los efectos secundarios, estrategia general planificada, equipo multidiscliplinar, información, planificación, revisión, accesibilidad, disponibilidad y flexibilidad. El tratamiento farmacológico se basa en la escalera analgésica de la O.M.S.: el primer escalón está formado por analgésicos no opioides (paracetamol, dipirona, antiinflamatorios, el segundo por opioides débiles (más no opioides y el tercero por opioides potentes (más no opioides. A todos los

  10. Asociación Molecular y Función del Surfactante Pulmonar de Ternera

    OpenAIRE

    María del Lurdez C. Martínez Montaño; José Luís Muñoz Sánchez; Isabel Baeza Ramírez

    2005-01-01

    El surfactante pulmonar es un material con alta actividad de superficie compuesto de fosfolípidos, lípidos neutros y proteínas que se encuentra en la superficie alveolar de los pulmones y facilita la ventilación alveolar y el intercambio de gases a presiones fisiológicas. La organización molecular de los componentes del surfactante aislado a partir de pulmones de ternera fue analizado por calorimetría diferencial de barrido y por dispersión dinámica de luz y posteriormente comparado con los c...

  11. Theoretical study of the molecular bases that control photochemical processes with biological and nanotechnological interest

    OpenAIRE

    Saurí Peris, Vicenta

    2013-01-01

    El trabajo desarrollado en la tesis doctoral que lleva por título "Theoretical study of the molecular bases that control photochemical processes with biological and nanotechnological interest" se enmarca en las líneas de investigación del grupo QCEXVAL (Quantum Chemistry of the Excited State University of Valencia), que nació en el seno del departamento de Química Física de la Universitat de València en 1993. Se han abordado temas de interés metodológico, biológico y nanotecnológico. La prime...

  12. As bases moleculares da hemofilia A

    Directory of Open Access Journals (Sweden)

    Simone Ferreira Pio

    2009-01-01

    Full Text Available As hemofilias são doenças hemorrágicas resultantes da deficiência de fator VIII (hemofilia A ou de fator IX (hemofilia B da coagulação, decorrentes de mutações nos genes que codificam os fatores VIII ou IX, respectivamente. A hemofilia A é mais frequente que a hemofilia B e acomete aproximadamente 1:10.000 nascimentos masculinos. A gravidade e frequência dos episódios hemorrágicos está relacionado ao nível residual de atividade de fator VIII presente no plasma e este relaciona-se ao tipo de mutação associada à doença. A clonagem do gene do fator VIII tornou possível o conhecimento das bases moleculares da hemofilia A, sendo hoje conhecidas mais de 1.000 mutações associadas à doença. O conhecimento das bases moleculares da hemofilia A permite uma melhor compreensão da relação genótipo-fenótipo da doença, tomada de condutas clínicas diferenciadas em casos de mutações associadas a um maior risco de desenvolvimento de inibidor, determinação da condição de portadora de hemofilia em mulheres relacionadas aos pacientes, implementação de programa de aconselhamento genético/orientação familiar e melhor compreensão das relações estruturais-funcionais do gene-proteína. Este artigo propõe revisar as bases moleculares da hemofilia A, os métodos laboratoriais utilizados para a caracterização das mutações e as implicações clínicas envolvidas no diagnóstico molecular da hemofilia A.Hemophilias are bleeding disorders due to deficiency of the blood coagulation factor VIII (hemophilia A or factor IX (hemophilia B, resulting from mutation on the gene coding for factor VIII or factor IX. Hemophilia A is more frequent than hemophilia B and affects 1:10,000 male newborns. The severity and frequency of hemorrhagic episodes is related to residual activity of factor VIII present in the plasma and relates to the type of mutation associated with the disorder. Cloning of the factor VIII gene has enabled researchers to

  13. Aspectos moleculares del virus de la parvovirosis canina y sus implicaciones en la enfermedad

    Directory of Open Access Journals (Sweden)

    César A. Díaz R.

    2008-06-01

    Full Text Available El parvovirus canino tipo 2 (CPV-2 es el agente causal de una enfermedad infecto-contagiosa que produce una gastroenteritis aguda hemorrágica que afecta a caninos jóvenes. El CPV-2 se adaptó a la especie canina por mutación del virus de la Panleucopenia felina (FPV luego de su paso por animales silvestres como el hurón y los zorros. La alta variabilidad de la proteína viral 2 (VP2 es la causa principal del amplio rango de hospedadores y de las reacciones cruzadas entre las variantes. En la actualidad, la secuenciación de esta proteína ha permitido identificar tres variantes del virus conocidas como 2a, 2b y 2c que conviven en el mundo con diferencias en tropismo celular, infecciocidad y patogenicidad. El virus ssADN ha presentado una gran variación génica en cortos períodos de tiempo lo que indica un alto grado de selección por evolución sólo comparable con virus RN, esta alta variabilidad no se ha aclarado totalmente. El empleo de las técnicas moleculares permitirá diferenciar entre cepas vacunales y de campo, tanto como contar con técnicas diagnósticas confiables y específicas.

  14. PROGRAMA DE CALIDAD PARA LAS INVESTIGACIONES BÁSICAS DEL CENTRO DE INMUNOLOGÍA MOLECULAR / PROGRAM OF QUALITY FOR THE BASIC INVESTIGATIONS OF THE CENTER OF MOLECULAR IMMUNOLOGY

    Directory of Open Access Journals (Sweden)

    Dainerys Infante-Santana

    2011-09-01

    Full Text Available

    El artículo describe el Programa de calidad para las investigaciones del Centro de Inmunología Molecular. Este programa incorpora el cumplimiento de las Buenas Prácticas de Laboratorio con una gestión basada en el comportamiento, el análisis de los riesgos, el enfoque a procesos y la evaluación a través de indicadores. La aplicación del nuevo programa de calidad en el proceso de la actividad científica, permitió disminuir los incumplimientos de las mencionadas prácticas, mejorar los indicadores de productividad científica y lograr una mayor cultura de calidad en el área de investigaciones del Centro de Inmunología Molecular.

    Abstract

    The paper describes the Program of quality for the investigations of the Center of Molecular Immunology. This program incorporates the execution of the Good Practices of Laboratory with a behaviour-based management, the analysis of the risks, the process approach and the assessment through indicators. The application of the new quality program in the process of the scientific activity, allowed to decrease the nonfulfillments of the above mentioned practices, to improve the scientific productivity indicators and to achieve a greater quality culture in the area of investigations of the Center of Molecular Immunology.

  15. Bases de datos del CSIC en internet

    OpenAIRE

    Urdín Caminos, Carmen; Alcaín, M.ª Dolores

    2004-01-01

    [ES] La mayoría de las bases de datos bibliográficas tienen una cobertura temática, y pueden ser especializadas o multidisciplinares, pero muy pocas recogen la producción científica de un país, como es el caso de las bases de datos producidas por el Consejo Superior de Investigaciones Científicas (CSIC), en Madrid, que son multidisciplinares y recogen la producción científica publicada en revistas especializadas editadas en España desde 1975. Las bases de datos producidas por el CSIC: ICYT (C...

  16. Molecular diagnostics: future probe-based strategies.

    Science.gov (United States)

    Marsh, Peter; Cardy, Donald L N

    2004-01-01

    Nucleic acid amplification technologies (NAATs) represent powerful tools in clinical microbiology, particularly in areas where traditional culture-based methods alone prove insufficient. A notable advantage is in reducing the time from taking samples to reporting results. This, and the specificity and sensitivity imparted by NAATs, can help to improve patient care. Both thermal and isothermal NAATs have been adapted to aid diagnosis in clinical laboratories. Current molecular diagnostic assays are generally high-tech, and are expensive to buy and perform. Easy-to-use NAATs are beginning to appear, not only facilitating acceptable throughput in clinical laboratories, but also allowing tests to move out of the laboratory, closer to the point of care. Demand for simpler, miniaturized equipment and assays, and the trend toward personalized medicine, is leading towards the development of fully integrated automation and home-use kits. The integration of diverse disciplines, such as genomics, molecular biology, microelectromechanical systems, microfluidics, microfabrication, and organic chemistry, is behind the emerging DNA microarray technology. Development of DNA microchips allows the simultaneous detection of potentially thousands of target sequences, not only favoring high throughput, but also the potential for genotyping patient subsets with respect to their response to particular drug types (pharmakogenomics). It is envisaged that the future of probe-based technologies will see the development of fully integrated assays and devices suitable for nonskilled users. PMID:15148419

  17. Caracterización molecular del germoplasma de ñame colombiano utilizando "dna amplificaron fingerprinting (daf)" en condiciones radiactivas

    OpenAIRE

    Bustamante, Silvia L.; Guzmán, Mónica; Buitrago, Gustavo

    2007-01-01

    Para la realización de este trabajo se utilizaron muestras de la colección de ñame (Dioscorea spp.) de la Universi­dad de Córdoba y algunas muestras provenientes del IITA (International Institute of Tropical Agriculture, Ibadan, Nigeria), con el fin de caracterizarlas molecularmente y complementar la información que se tiene de ellas. Dada la importancia del cultivo del ñame para los pequeños productores de la costa atlántica, surgió la propuesta de iniciar estudios moleculares en una primera...

  18. Efecto del calor aportado en recargues nanoestructurados base hierro

    Directory of Open Access Journals (Sweden)

    Agustín Gualco

    2013-12-01

    Full Text Available En los últimos años se han desarrollado consumibles de soldadura que depositan recubrimientos duros de aleaciones base hierro nanoestructuradas de gran resistencia al desgaste abrasivo. Las resistencias al desgaste erosivo y abrasivo están controladas principalmente por la composición química y la microestructura. A su vez, la microestructura del metal depositado puede presentar variaciones con el procedimiento de soldadura empleado, especialmente en relación al aporte térmico. Los parámetros operativos que definen el aporte térmico (tensión, corriente y velocidad de soldadura afectan aspectos como la geometría del cordón (ancho, penetración y sobremonta y la dilución con el material base. El propósito de este trabajo fue estudiar el efecto del calor aportado sobre las características geométricas del cordón, la dilución y la evolución microestructural de una aleación nanoestructurada base hierro, depositada por FCAW. Se soldaron muestras con aportes térmicos de entre 0,5 y 3,5 kJ/mm. Sobre cada cupón soldado se realizó un relevamiento dimensional, se analizó la composición química y se caracterizó la microestructura usando microscopías óptica y electrónica de barrido y difracción de rayos X. También se midieron la microdureza del depósito, el tamaño de cristalita y el grado de dilución. Se observó una gran influencia de las condiciones de proceso sobre la geometría del cordón. La dilución varió entre un 30 y un 40%, la microdureza del depósito se encontró entre 800 y 870 HV1 y el tamaño de cristalita osciló entre 105 y 130 nm, en función de las variables de proceso empleadas. Las mayores durezas y los menores tamaños de cristalita se obtuvieron con el menor aporte térmico, asociado a una menor dilución.

  19. Información molecular obtenida a partir de pieles de la colección del Museo Regional Fagnano, Río Grande, Tierra del Fuego

    OpenAIRE

    Petrigh, Romi; Fugassa, Martín H.

    2014-01-01

    En el presente trabajo se aplicaron técnicas moleculares sobre muestras poco conservadas de pieles depositadas en la colección del Museo Regional Monseñor Fagnano, Tierra del Fuego, Argentina, con el objetivo de identificar la especie con la que fueron confeccionadas. Se extrajeron pelos de mantas realizadas con pieles de guanaco (Lama guanicoe) por Selk’nam y de una piel de puma (Puma concolor) procedente de la provincia de Santa Cruz. Ambas muestras se encontraban almacenadas en el Museo Re...

  20. CLONACIÓN Y FILOGENIA MOLECULAR DE UN SEGMENTO DEL GEN CODANTE DE LA ACTINA DE MYRCIARIA DUBIA “CAMU-CAMU”: UN CANDIDATO PARA GEN DE REFERENCIA

    Directory of Open Access Journals (Sweden)

    Juan Castro Gómez

    2012-12-01

    Full Text Available Myrciaria dubia “camu-camu” es un frutal amazónico caracterizado por su amplia variación de vitamina C. Pero los estudios genético moleculares que puedan explicar esta variación son limitados. Por ello nuestro objetivo fue realizar la clonación y filogenia molecular de un segmento del gen codante de la actina de M. dubia. Las muestras fueron obtenidas de la colección de germoplasma del INIA. Luego, el ARN fue purificado y mediante RT-PCR con cebadores degenerados se amplificó un segmento del gen. En base a la secuencia obtenida se diseñaron cebadores específicos para PCR en tiempo real. Los resultados muestran que se ha aislado, clonado y secuenciado un segmento del gen codante de actina de M. dubia y detectado su expresión en hojas, pulpa y cáscara de M. dubia. Así, con el soporte de herramientas bioinformáticas y uso de técnicas de biología molecular hemos aislado, clonado y secuenciado un segmento del gen codante de la actina de M. dubia. Asimismo, los análisis realizados muestran que el gen se expresa y presenta niveles similares de expresión en hojas, pulpa y cáscara de M. dubia. Sin embargo, es necesario realizar más experimentos a fin de verificar su estabilidad de expresión.

  1. IMPLEMENTACIÓN DEL MÉTODO DEL GRADIENTE ANALÍTICO DE LA ENERGÍA EN LA TEORÍA DEL ORBITAL MOLECULAR NUCLEAR Y ELECTRÓNICO.

    Directory of Open Access Journals (Sweden)

    Andrés Reyes

    2009-06-01

    Full Text Available Con el fin optimizar las geometrías promedio de sistemas moleculares utilizando la teoría del orbital molecular nuclear y electrónico (OMNE, se dedujo la expresión para el cálculo del gradiente analítico de la energía a nivel de teoría Hartree-Fock, para cualquier tipo de especie cuántica. La implementación computacional se realizó dentro del paquete APMO (Any-Particle Molecular Orbital y con el fin de comprobar la correcta implementación del método se calcularon las moléculas modelo H2, HF y H2O, por medio de métodos numéricos y analíticos.  El uso de derivadas analíticas dentro del formalismo OMNE permitirá  el cálculo más eficiente de la estructura núcleo-electrónica de sistemas moleculares con el paquete APMO. 

  2. La experiencia del curso "bases romanistas del derecho civil" en la facultad de derecho de la Pontificia Universidad Católica del Perú

    OpenAIRE

    Marcial Rubio Correa

    1986-01-01

    Esta ponencia se inscribe dentro del tema de enseñanza del Derecho que, de acuerdo a las bases establecidas para el V Congreso Latinoamericano de Derecho Romano, es parte de sus trabajos. Es una propuesta que no pretende sustituir, sino antes bien complementar, al curso tradicional de Derecho Romano que se ha dictado desde tiempo atrás.

  3. La experiencia del curso "bases romanistas del derecho civil" en la facultad de derecho de la Pontificia Universidad Católica del Perú

    Directory of Open Access Journals (Sweden)

    Marcial Rubio Correa

    1986-12-01

    Full Text Available Esta ponencia se inscribe dentro del tema de enseñanza del Derecho que, de acuerdo a las bases establecidas para el V Congreso Latinoamericano de Derecho Romano, es parte de sus trabajos. Es una propuesta que no pretende sustituir, sino antes bien complementar, al curso tradicional de Derecho Romano que se ha dictado desde tiempo atrás.

  4. SISTEMA DE GESTIÓN DE NO CONFORMIDADES PARA LOS PRODUCTOS COMERCIALES DEL CENTRO DE INMUNOLOGÍA MOLECULAR / NON-CONFORMITIES MANAGEMENT SYSTEM FOR COMMERCIAL PRODUCTS IN THE MOLECULAR IMMUNOLOGY CENTER

    Directory of Open Access Journals (Sweden)

    Yuliet Romero-Ruiz

    2011-03-01

    Full Text Available

    Este artículo describe el diseño y la implementación de un sistema de gestión para las no conformidades generadas durante la fabricación y la distribución de los productos biotecnológicos comerciales en el Centro de Inmunología Molecular. El trabajo abarcó desde la etapa de planificación, con el establecimiento de los indicadores de eficiencia y eficacia del sistema, hasta la evaluación del mismo. Para el control del sistema se emplearon técnicas de ingeniería de la calidad. El diseño del sistema se basó en los principios de la gestión por procesos, la administración del riesgo y el enfoque de sistema. Al año de implementación del sistema se habían gestionado 129 no conformidades y el 83% de ellas estaban cerradas. Además, se observó una disminución en el número de las no conformidades detectadas por las inspecciones regulatorias.

    Abstract

    This article describes the design and implementation of a management system for nonconformities generated during the manufacture and distribution of commercial biotechnological products in the Molecular Immunology Centre. The work ranged from the planning stage, with the establishment of indicators of efficiency and effectiveness of the system, to its assessment. Quality engineering techniques were used for monitoring the system. The system design was based on the principles of process management, risk management and systems approach. One year after the implementation of the system, 129 non-conformities had been managed and 83% of them were closed. In addition, there was a decrease in the number of nonconformities identified by regulatory inspections.

  5. La microbiología del suelo en la era de la biología molecular: descubriendo la punta del iceberg

    OpenAIRE

    Nogales, B.

    2005-01-01

    La aplicación de técnicas de biología molecular al estudio de la microbiología del suelo ha representado un gran avance en el conocimiento de estos ecosistemas. El reconocimiento de la presencia de una gran diversidad de microorganismos en suelos, que resultaban totalmente desconocidos porque no se habían obtenido en cultivos de laboratorio, es sólo el comienzo de una nueva era en la microbiología molecular de suelos. El gran reto actual es determinar el papel funcional de los difere...

  6. LIBERACIÓN EN TIEMPO REAL DE LOS PRODUCTOS COMERCIALES DEL CENTRO DE INMUNOLOGÍA MOLECULAR

    Directory of Open Access Journals (Sweden)

    Antonio E. Vallín García

    2010-11-01

    Full Text Available

    Este artículo describe un Procedimiento de Liberación en Tiempo Real para los productos comerciales del Centro de Inmunología Molecular. El Procedimiento incorpora el conocimiento del proceso a través de todas las etapas del proceso productivo, evaluando los parámetros y controles de proceso para asegurar la calidad del Ingrediente Farmacéutico Activo y del Producto Final.  La aplicación sistemática disminuirá significativamente el tiempo de liberación, garantizando la calidad del producto, el cumplimiento de las regulaciones y mayor conocimiento del proceso y del producto.

     

    This article describes a Procedure of Liberation in Real Time for the commercial products of the Center of Molecular Immunology. The Procedure incorporates the knowledge of the process through all the stages of the productive process, evaluating the parameters and process controls to assure the quality of the Active Pharmaceutical Ingredient and of the Final Product.  The systematic application will diminish the time of liberation, significantly guaranteeing the quality of the product, the execution of the regulations and bigger knowledge of the process and of the product.

  7. Estudio teórico del virus del síndrome respiratorio agudo severo (sars) a través del uso de métodos de acoplamiento molecular

    OpenAIRE

    Ricardo Vivas Reyes; José Luis Ruiz; Roger Caraballo

    2010-01-01

    En este estudio se ha evaluado por medio de la metodología de acoplamiento molecular una serie de 5 ligandos borados, que son variantes de la molécula FL-078. Estas moléculas tienen actividad inhibitoria frente a la proteasa Mpro responsable de la replicación del SARS-CoV. Haciendo uso del programa SYBYL7.0 se optimizó el homodímero de la Mpro (código 1Q2W), y a través del software FlexX se hizo el acople molecular con el fin de escoger el confórmero más estable de los ligandos aril borados f...

  8. PET-based molecular imaging in neuroscience

    International Nuclear Information System (INIS)

    Positron emission tomography (PET) allows non-invasive assessment of physiological, metabolic and molecular processes in humans and animals in vivo. Advances in detector technology have led to a considerable improvement in the spatial resolution of PET (1-2 mm), enabling for the first time investigations in small experimental animals such as mice. With the developments in radiochemistry and tracer technology, a variety of endogenously expressed and exogenously introduced genes can be analysed by PET. This opens up the exciting and rapidly evolving field of molecular imaging, aiming at the non-invasive localisation of a biological process of interest in normal and diseased cells in animal models and humans in vivo. The main and most intriguing advantage of molecular imaging is the kinetic analysis of a given molecular event in the same experimental subject over time. This will allow non-invasive characterisation and ''phenotyping'' of animal models of human disease at various disease stages, under certain pathophysiological stimuli and after therapeutic intervention. The potential broad applications of imaging molecular events in vivo lie in the study of cell biology, biochemistry, gene/protein function and regulation, signal transduction, transcriptional regulation and characterisation of transgenic animals. Most importantly, molecular imaging will have great implications for the identification of potential molecular therapeutic targets, in the development of new treatment strategies, and in their successful implementation into clinical application. Here, the potential impact of molecular imaging by PET in applications in neuroscience research with a special focus on neurodegeneration and neuro-oncology is reviewed. (orig.)

  9. Epidemiología molecular y control de la transmisión vertical del VIH-1 en un área endémica de malaria del sur de Mozambique

    OpenAIRE

    Lahuerta Sanaú, Maria

    2009-01-01

    OBJETIVOS:1. Caracterizar la epidemiología molecular del VIH‐1 en mujeres embarazadas en Manhiça, Mozambique, y analizar la evolución genética entre 1999 y 2004.2. Evaluar el impacto del tratamiento intermitente antimalárico (IPTp) con dos dosis de sulfadoxina‐pirimetamina (SP) durante el 2º y 3º trimestre del embarazo en la transmisión vertical del VIH‐1.3. Evaluar la relación entre la infección materna por P. falciparum y la activación del sistema inmunitario en el momento...

  10. InDel and SNP Markers and Their Applications in Map-based Cloning of Rice Genes

    Institute of Scientific and Technical Information of China (English)

    PAN Cun-hong; ZUO Shi-min; CHEN Zong-xiang; PAN Xue-biao; LI Ai-hong; DAI Zheng-yuan; ZHANG Hong-xi; LIU Guang-qing; WANG Zi-bin; MA Yu-yin; YIN Yue-jun; ZHANG Ya-fang

    2008-01-01

    High-density markers are necessary for map-based cloning of dca genes, but the currently available markers are not satisfactory enough. InDel (insertion-deletion length polymorphism) and SNP (single nucleotide polymorphism) are the new generation of molecular markers and can basically meet the need of fine mapping. InDel and SNP markers can be developed through bioinformatics. These markers are valuable markers with the characters of low cost, high specificity and stability. This article introduced the methods for designing InDel and SNP markers, taking the mapping of a dce rolled leaf gene as an example. In addition, some key factors in improving the design efficiency were also discussed.

  11. Efecto del calor aportado en recargues nanoestructurados base hierro

    OpenAIRE

    Agustín Gualco; Hernán G. Svoboda; Estela S. Surian

    2013-01-01

    En los últimos años se han desarrollado consumibles de soldadura que depositan recubrimientos duros de aleaciones base hierro nanoestructuradas de gran resistencia al desgaste abrasivo. Las resistencias al desgaste erosivo y abrasivo están controladas principalmente por la composición química y la microestructura. A su vez, la microestructura del metal depositado puede presentar variaciones con el procedimiento de soldadura empleado, especialmente en relación al aporte térmico. Los parámetros...

  12. Affinity based and molecularly imprinted cryogels: Applications in biomacromolecule purification.

    Science.gov (United States)

    Andaç, Müge; Galaev, Igor Yu; Denizli, Adil

    2016-05-15

    The publications in macro-molecularly imprinted polymers have increased drastically in recent years with the development of water-based polymer systems. The macroporous structure of cryogels has allowed the use of these materials within different applications, particularly in affinity purification and molecular imprinting based methods. Due to their high selectivity, specificity, efficient mass transfer and good reproducibility, molecularly imprinted cryogels (MICs) have become attractive for researchers in the separation and purification of proteins. In this review, the recent developments in affinity based cryogels and molecularly imprinted cryogels in protein purification are reviewed comprehensively. PMID:26454622

  13. Sistemática molecular de algunas especies de Lutzomyia spp del grupo verrucarum (Theodor 1965. Búsqueda de marcadores moleculares para la caracterización de especies

    Directory of Open Access Journals (Sweden)

    I. D. Vélez

    2000-02-01

    Full Text Available

    En el nuevo mundo la Leishmaniosis es transmitida por dípteros del género Lutzomyia frança. Este género presenta una amplia diversidad morfológica por lo que ha sido dividida en subgéneros, grupos y series de especies. Se ha propuesto que la reciente especiación de algunos grupos fue debida a cambios climáticos en el pasado, especialmente en el pleistoceno (hace 1.8 millones de años, los cuales sirvieron para aislar poblaciones coespecíficas en diferentes refugios durante períodos secos. El grupo verrucarum es uno de los agrupamientos subgenéricos en el que se incluyen 28 especies. Con base en la morfología de la genitalia de machos se ha subdividido este grupo en las series serrana, verrucarum y towsendi. De estas especies L. evansi se ha incriminado como vector alternativo de Leishmania (Leishmania infantum chagasi en un foco de Leishmaniosis visceral al norte de Colombia. Otras especies se han incriminado en la transmisión de Leishmania (Viannia, agente causante de Leishmaniosis cutánea.

    Debido a la gran controversia sobre la ubicación sistemática de muchos insectos de importancia médica, surgió un macroproyecto del cual hace parte este estudio y que tiene como propósito aportar al conocimiento sobre las relaciones filogenéticas entre especies del género Lutzomyia. Las especies del grupo verrucarum tienen un interés particular debido a las frecuentes dificultades en su determinación taxonómica basada en caracteres morfológicos. Este estudio tiene como objetivo particular realizar un análisis cladístico entre algunas especies alopátricas (distanciadas geográficamente presentes en Colombia, usando secuencias del gen que codifica para la unidad cuatro de la NADH deshidrogenasa mitocondrial

  14. LÍNEA DE BASE DEL SISTEMA PENAL ECUATORIANO

    Directory of Open Access Journals (Sweden)

    Miguel Angel Valarezo Tenorio

    2011-08-01

    Full Text Available RESUMO En el año 2000, el Ecuador cambió su sistema procesal penal de tipo inquisitivo por uno de corte acusatorio. Para determinar el funcionamiento del mismo se debía levantar una línea de base recogiendo en una base de datos algunos indicadores del proceso penal. A partir de este conjunto de datos y variables iniciales, se hizo factible la elaboración de un sistema informático procesal penal ecuatoriano (SIPPE que permite elaborar un análisis de componentes principales. En nuestro caso, la componente de mayor importancia es la estacional, ella se puede interpretar como la existencia de tendencias estacionales que podrían intervenir en la ejecución de los delitos. Palavras- chave: Sistema procesal penal ecuatoriano, modelamiento matemático, estacionalidad de delitos. ECUADORIAN CRIMINAL PROCEDURE SYSTEM BASELINE ABSTRACT In 2000, Ecuador changed its system of criminal procedure by an inquisitive type of adversarial court. To determine the operation of the lift should be collecting baseline data in a database of some indicators of criminal proceedings. From this set of data and baseline variables was made feasible the development of a computer system of criminal procedure Ecuador (SIPPE that allows to develop a principal component analysis. In our case, the most important component is seasonal, and it can be interpreted as the existence of seasonal trends that could result in the execution of the crimes. Key-words: Ecuadorian criminal process system, mathematical model, seasonal of crimes. SUMÁRIO Introducción. 1. El Proyecto Línea de Base del sistema procesal penal ecuatoriano. 2. Información disponible en el SIPPE. 3. Análisis Estadístico Descriptivo de los datos. 4. Análisis de la Estacionalidad de los delitos. 5. Correlaciones entre los tipos de delitos. 6. Tipología social del delito. 7. Modelos de incidencia de variables sociales sobre el delito. 8. Conclusiones y recomendaciones.

  15. Bases de datos bibliográficas de Historia: la experiencia del Instituto de Historia del CSIC

    OpenAIRE

    Fernández-Izquierdo, Francisco

    2000-01-01

    «..Entre los resultados del proyecto de investigación "Historia y Nuevas Tecnologías de la Información", desarrollado entre 1996 y 1999 en el Instituto de Historia del CSIC, se ha desarrollado un sistema de publicación de bases de datos bibliográficas en Internet sencillo y orientado al usuario investigador...».

  16. IDENTIFICACIÓN MOLECULAR DE POBLACIONES BACTERIANAS ASOCIADAS AL CARACOL PALA (Strombus gigas DEL CARIBE COLOMBIANO

    Directory of Open Access Journals (Sweden)

    ROMERO MAGALLY

    2009-08-01

    Full Text Available RESUMEN

    El caracol Pala, Strombus gigas (Strombidae, es de gran importancia ecológica y socioeconómica en el área caribeña colombiana. Sin embargo, es una especie catalogada como “vulnerable” y existe muy poca información referente a las especies bacterianas asociadas al caracol que puedan ser importantes para el desarrollo, manejo productivo y de seguridad acuícola de estos gastrópodos. En este trabajo, nosotros empleamos un estudio microbiológico y molecular de la región intergénica entre los genes 16S y 23S rDNA, análisis del gen rDNA 16S y secuenciación, para analizar las bacterias asociadas al caracol Pala (S. gigas. La composición de bacterias cultivables asociadas fue evaluada por su capacidad para crecer en agar marino y en medios de cultivos selectivos. De un total de 28 muestras analizadas encontramos que el número de bacterias cultivadas en condiciones aerobias fue de alrededor 106 ufc mL-1 donde las bacterias pertenecientes a la familia Vibrionacea fueron las más abundantes, cerca de >105 ufc mL-1 . El análisis molecular de la región intergénica entre los genes 16S y 23S rDNA de las diferentes muestras, reveló una gran complejidad bacteriana asociada a S. gigas. Las secuencias de los amplificados del gen rDNA 16S identificó Pseudoalteromonas sp., Halomonas sp., Psycrobacter sp., Cobetia sp., Pseudomonas sp. y Vibrios sp. Nuestros resultados podrían sugerir un rol importante de estas bacterias como componentes de la comunidad asociada al S. gigas. Esta información puede complementar los estudios que se están implementando en los procesos para la conservación y repoblamiento de las poblaciones de S. gigas en Colombia.

    Palabras clave: Strombus gigas, Caracol pala, Bacteria, Región intergénica 16S-23S, rDNA 16S.

    ABSTRACT

    The Queen Conch, Strombus gigas (Strombidae, is a species of great ecological and socioeconomic importance in the Caribbean area of Colombia

  17. Starch molecular fractionation of bread wheat varieties Fraccionamiento molecular del almidón de variedades trigo pan

    Directory of Open Access Journals (Sweden)

    V. Corcuera

    2007-06-01

    Full Text Available The starch composition of bread making wheat seeds (Triticum aestivum subsp. vulgare of the Argentine commercial varieties Buck Charrua, Buck Ombú, Buck Guaraní, Buck Catriel and Buck Poncho was analyzed by two different methods. One of these depends on the differential solubility of amylose and amylopectin in a water:butanol mixture whilst the other process is based on the use of the lectin Concanavalin A. These methods were complemented by spectrophotometric determinations to enable the identification of the á-D- glucanes and also improved the comparative quantitation of the amylose and amylopectin fractions. As a result of this, no significant variations for starch content (ANOVA, F4- 8= 0.7; p ≥ 0.05 were found among these varieties, although strong differences were found for amylose (ANOVA, F4- 8= 44.4; p ≥ 0.01 and amylopectin content (ANOVA, F4- 8= 77.1; p ≥ 0.01. These results and the fact that no differences were found for amylose (ANOVA, F2- 8= 0.3 and amylopectin among years within the same variety (ANOVA, F2- 8:0.8 at p ≥0.01 led to the conclusion that the diverse properties and end-uses of the starch mainly depend on the genotype, and that starch quality is null or scarcely influenced by the environment. This knowledge must be taken into account for wheat breeding purposes.Se analizó la composición del almidón de granos de trigo pan (Triticum aestivum subsp. v u l g a r e de las variedades comerciales argentinas Buck Charrúa, Buck Ombú, Buck Guaraní, Buck Catriel y Buck Poncho mediante dos métodos diferentes. Uno de ellos depende de la solubilidad diferencial de la amilosa y amilopectina en una mezcla de agua:butanol, mientras que el otro proceso está basado en el uso de la lectina Concanavalina A. Estos métodos fueron complementados mediante determinaciones espectrofotométricas que facilitaron la identificación de los á-D-glucanos y también permitieron mejorar la cuantificación comparativa de las fracciones

  18. El picudo del algodonero en la Argentina: Principales resultados e implicancias de los estudios moleculares The cotton boll weevil in Argentina: Main results and implications of the molecular studies

    OpenAIRE

    Analía A. Lanteri; Confalonieri, Viviana A.; M. Amalia Scataglini

    2003-01-01

    Después de diez años del primer registro del picudo del algodonero, Anthonomus grandis Boheman (Coleoptera, Curculionidae), en la Argentina, el insecto ha llegado a la zona algodonera del Chaco. Los estudios moleculares realizados sobre poblaciones de la Argentina, Brasil y Paraguay, y posibles poblaciones fuente de EE.UU y México, han aportado información relevante para el control de la plaga. Se aplicaron las técnicas de RAPD (Polimorfismos del ADN Amplificados al Azar) y de secuenciación d...

  19. Network-Based Models in Molecular Biology

    Science.gov (United States)

    Beyer, Andreas

    Biological systems are characterized by a large number of diverse interactions. Interaction maps have been used to abstract those interactions at all biological scales ranging from food webs at the ecosystem level down to protein interaction networks at the molecular scale.

  20. Nueva edad de la base del grupo Chubut en la mena uranífera Cerro Solo, provincia del Chubut

    Directory of Open Access Journals (Sweden)

    Nilda Marveggio

    2013-09-01

    Full Text Available En este trabajo se analizan las características litológicas de la roca hospedante de la mineralización de uranio del yacimiento Cerro Solo, que corresponde al miembro inferior de la Formación Los Adobes, unidad basal del Grupo Chubut en su sector norte. Se analiza la asociación de polen angiospérmico de allí recuperada, y en base a ese análisis, se establece una edad albiana temprana para la asociación polínica, que determina una edad más joven que la considerada hasta el momento para el inicio de la depositación de las sedimentitas del Grupo Chubut en el depocentro del yacimiento Cerro Solo.

  1. Estudio del movimiento del punto ETCG con base en mediciones GPS y dentro del sistema mundial ITRF

    Directory of Open Access Journals (Sweden)

    Jorge Moya Zamora

    2016-03-01

    Full Text Available Con el fin de estudiar la variación en la posición elipsoídica del punto ETCG, se hicieron mediciones GPS en dos épocas diferentes, después de que dicho punto se vinculó por primera vez al sistema mundial, Sistema de Referencia Terrestre Internacional (ITRF, en el año 1998. Como producto del primer amarre, se obtuvo la posición de ETCG con una gran exactitud, al tener errores en las coordenadas ajustadas del orden centimétrico, lo cual dejó abierta la posibilidad de realizar nuevas mediciones y estudiar el movimiento que sufre el punto, con un alto grado de exactitud. En la investigación realizada se hicieron dos nuevos amarres al sistema mundial mediante mediciones GPS en la modalidad diferencial, uno a mediados del año 1999 y otro a finales del año 2000. Los resultados demuestran que en el período considerado existió un movimiento tridimensional significativo del punto ETCG, sin embargo, considerando solo las coordenadas de latitud y longitud, el desplazamiento resultante no es estadísticamente significativo.

  2. Quantitative Molecular Thermochemistry Based on Path Integrals

    Energy Technology Data Exchange (ETDEWEB)

    Glaesemann, K R; Fried, L E

    2005-03-14

    The calculation of thermochemical data requires accurate molecular energies and heat capacities. Traditional methods rely upon the standard harmonic normal mode analysis to calculate the vibrational and rotational contributions. We utilize path integral Monte Carlo (PIMC) for going beyond the harmonic analysis, to calculate the vibrational and rotational contributions to ab initio energies. This is an application and extension of a method previously developed in our group.

  3. Sensors based on carbon nanotube field-effect transistors and molecular recognition approaches

    OpenAIRE

    Cid Salavert, Cristina Carlota

    2009-01-01

    La unión de las propiedades de los CNT con los principios de reconocimiento molecular se presenta como una base adecuada para el desarrollo de sensores altamente específicos. El objetivo de la presente tesis ha sido desarrollar sensores químicos, del tipo transistores de efecto campo (CNTFET), basados en interacciones receptor-analito, mediante el empleo de los nanotubos de pared sencilla (SWCNT), que actúan como transductores de la señal analítica.Las principales etapas de la parte experimen...

  4. NCG56/22: Reglamento de r??gimen interno del Departamento Bioqu??mica y Biolog??a Molecular III e Inmunolog??a (Facultad de Medicina)

    OpenAIRE

    Universidad de Granada

    2012-01-01

    Reglamento de R??gimen Interno del Departamento de Bioqu??mica y Biolog??a Molecular III e Inmunolog??a (Facultad de Medicina). Aprobado en sesi??n extraordinaria del Consejo de Gobierno de la Universidad de Granada celebrada el 10 de febrero de 2012.

  5. ANÁLISIS CLÍNICO Y MOLECULAR DE UNA PACIENTE CON PENTASOMIA DEL CROMOSOMA X.

    Directory of Open Access Journals (Sweden)

    Mateus Arbelaez Heidi Eliana

    2010-08-01

    Full Text Available

    INTRODUCCIÓN.

    La Pentasomia del X (49,XXXXX es una alteración cromosómica poco frecuente, que afecta a mujeres y fue descrita en 1963 por Kesaree y Wooley. Hasta la fecha se han reportado menos de 30 casos en la literatura. Se presenta un caso de pentasomia del cromosoma X, y mediante biología molecular se determino el origen materno de los cromosomas X adicionales.

    CASO CLÍNICO:

    Paciente de 28 meses, con talla baja proporcionada, braquicefalia, fascies característica, genitales externos femeninos con labios mayores hipoplásicos, braquidactilia, clinodactilia bilateral del quinto dedo, luxación de rodilla derecha, deformidad en varo.

    Se realizó cariotipo en sangre periférica que reportó un complemento cromosómico 49,XXXXX.

  6. BASES PARA LA COMPRENSIÓN ORGANIZATIVA DEL TEXTO

    Directory of Open Access Journals (Sweden)

    Pilar Elena

    2011-10-01

    Full Text Available During the complex process of text reading or analysis, readers must apply their knowledge and strategic capacity in order to reach the maximum degree of textual understanding or inferential understanding. There are a number of factors which may constitute an obstacle to the achievement of this goal, including a lack of knowledge with regard to the specialised nature of the text or to textual structures. This paper focuses on the knowledge of these structures and their relevance in order to achieve good organizational understanding as a basis for inferential understanding. The methodology proposed consists mainly of guided reading based on global and partial text models and text organisation outlines which, through practice, become tools to help readers understand and recall what they have read.Durante el complejo proceso de lectura o análisis del texto, el lector debe aplicar sus conocimientosy su capacidad estratégica para conseguir el grado máximo de comprensión textual o comprensióninferencial. Son varios los factores que pueden influir negativamente en la consecución de tal objetivo, entreellos el desconocimiento del campo de especialidad o de las estructuras textuales. Este trabajo se centraen el conocimiento de estas estructuras y su relevancia para lograr una buena comprensión organizativacomo base para la comprensión inferencial. La metodología que se propone consiste principalmente en unalectura guiada basada en modelos textuales globales y parciales, esquemas de organización textual, que, através de la práctica, se convierten en instrumentos de apoyo para la comprensión y el recuerdo de lo leído.

  7. CLONACIÓN Y FILOGENIA MOLECULAR DE UN SEGMENTO DEL GEN CODANTE DE LA ACTINA DE MYRCIARIA DUBIA “CAMU-CAMU”: UN CANDIDATO PARA GEN DE REFERENCIA

    OpenAIRE

    Juan Castro Gómez; Marianela Cobos Ruiz; Alina Egoavil Reátegui; Roberson Ramírez Saavedra; Sixto Imán Correa; Pedro Adrianzen Julca; Jorge Marapara del Águila

    2012-01-01

    Myrciaria dubia “camu-camu” es un frutal amazónico caracterizado por su amplia variación de vitamina C. Pero los estudios genético moleculares que puedan explicar esta variación son limitados. Por ello nuestro objetivo fue realizar la clonación y filogenia molecular de un segmento del gen codante de la actina de M. dubia. Las muestras fueron obtenidas de la colección de germoplasma del INIA. Luego, el ARN fue purificado y mediante RT-PCR con cebadores degenerados se amplificó un segmento del ...

  8. CARACTERIZACIÓN DE GENOTIPOS NATIVOS DE FRIJOL DEL ESTADO DE HIDALGO, CON BASE A CALIDAD DEL GRANO

    OpenAIRE

    Erika Elizabeth Muñoz-Velázquez; David Rubio-Hernández; Irma Bernal-Lugo; Ramón Garza-García; Carmen Jacinto-Hernández

    2009-01-01

    México cuenta con un vasto acervo de germoplasma nativo de frijol; sin embargo, para poder utilizarlo se requiere conocer los atributos de los genotipos, tanto agronómicos, como de calidad comercial y nutrimental del grano. El objetivo de este estudio fue caracterizar, con base a la calidad culinaria y de proteína, a 65 genotipos nativos de frijol. Se determinó el color, brillo, forma y tamaño, y se evaluó la calidad culinaria, contenido y digestibilidad in vitro de la proteína del grano. Por...

  9. Optimal separable bases and molecular collisions

    Energy Technology Data Exchange (ETDEWEB)

    Poirier, L W [Univ. of California, Berkeley, CA (United States)

    1997-12-01

    A new methodology is proposed for the efficient determination of Green`s functions and eigenstates for quantum systems of two or more dimensions. For a given Hamiltonian, the best possible separable approximation is obtained from the set of all Hilbert space operators. It is shown that this determination itself, as well as the solution of the resultant approximation, are problems of reduced dimensionality for most systems of physical interest. Moreover, the approximate eigenstates constitute the optimal separable basis, in the sense of self-consistent field theory. These distorted waves give rise to a Born series with optimized convergence properties. Analytical results are presented for an application of the method to the two-dimensional shifted harmonic oscillator system. The primary interest however, is quantum reactive scattering in molecular systems. For numerical calculations, the use of distorted waves corresponds to numerical preconditioning. The new methodology therefore gives rise to an optimized preconditioning scheme for the efficient calculation of reactive and inelastic scattering amplitudes, especially at intermediate energies. This scheme is particularly suited to discrete variable representations (DVR`s) and iterative sparse matrix methods commonly employed in such calculations. State to state and cumulative reactive scattering results obtained via the optimized preconditioner are presented for the two-dimensional collinear H + H{sub 2} {yields} H{sub 2} + H system. Computational time and memory requirements for this system are drastically reduced in comparison with other methods, and results are obtained for previously prohibitive energy regimes.

  10. Optimal separable bases and molecular collisions

    International Nuclear Information System (INIS)

    A new methodology is proposed for the efficient determination of Green's functions and eigenstates for quantum systems of two or more dimensions. For a given Hamiltonian, the best possible separable approximation is obtained from the set of all Hilbert space operators. It is shown that this determination itself, as well as the solution of the resultant approximation, are problems of reduced dimensionality for most systems of physical interest. Moreover, the approximate eigenstates constitute the optimal separable basis, in the sense of self-consistent field theory. These distorted waves give rise to a Born series with optimized convergence properties. Analytical results are presented for an application of the method to the two-dimensional shifted harmonic oscillator system. The primary interest however, is quantum reactive scattering in molecular systems. For numerical calculations, the use of distorted waves corresponds to numerical preconditioning. The new methodology therefore gives rise to an optimized preconditioning scheme for the efficient calculation of reactive and inelastic scattering amplitudes, especially at intermediate energies. This scheme is particularly suited to discrete variable representations (DVR's) and iterative sparse matrix methods commonly employed in such calculations. State to state and cumulative reactive scattering results obtained via the optimized preconditioner are presented for the two-dimensional collinear H + H2 → H2 + H system. Computational time and memory requirements for this system are drastically reduced in comparison with other methods, and results are obtained for previously prohibitive energy regimes

  11. Introducción del diagnóstico molecular de la hemocromatosis tipo 1 en Cuba

    Directory of Open Access Journals (Sweden)

    Ismael Aramís Cervera García

    2013-06-01

    Full Text Available Fundamento: la hemocromatosis tipo 1 es una enfermedad genética de transmisión autosómica recesiva, que debe diagnosticarse en su fase preclínica con el fin de evitar complicaciones orgánicas graves. Objetivo: establecer el diagnóstico de la hemocromatosis tipo 1 en Cuba, y calcular sus frecuencias en pacientes con hepatopatías. Métodos: se realizó un estudio analítico y transversal conformado por 65 pacientes con hepatopatías, remitidos por genetistas clínicos al laboratorio de Biología Molecular del Centro Nacional de Genética Médica. Se empleó un PCR-RFLP para la detección de las mutaciones C282Y y H63D del gen HFE. Resultados: se estandarizó el PCR-RFPL para la detección de las mutaciones C282Y y H63D. Las frecuencias de las mutaciones C282Y y H63D del gen HFE en los pacientes con afecciones hepáticas fueron de 6,3 % y 18,2 % respectivamente. Conclusiones: el diagnóstico molecular de las mutaciones C282Y y H63D del gen HFE causantes de la hemocromatosis tipo 1 permitió identificar 28 portadores en los 65 pacientes estudiados, así como un individuo homocigoto para la mutación H63D, lo que expone la alta prevalencia de estas mutaciones en pacientes cubanos con hepatopatías.

  12. Asociación molecular y función del agente tensioactivo pulmonar de ternera Molecular association and function of calf lung surfactant

    Directory of Open Access Journals (Sweden)

    María del Lurdez Consuelo Martínez Montaño

    2007-06-01

    Full Text Available El agente tensioactivo pulmonar es un material compuesto de fosfolípidos, lípidos neutros y proteínas que se encuentra en la superficie alveolar de los pulmones y facilita la ventilación alveolar. La organización molecular de los componentes del agente tensioactivo aislado de pulmones de ternera fue analizada por calorimetría diferencial de barrido y por dispersión dinámica de luz y posteriormente comparada con los componentes organizados en liposomas uni y multilamelares; además, se probó la actividad de superficie al desarrollar en cobayos el síndrome de dificultad respiratoria. Los estudios de calorimetría mostraron que las interacciones lípido-proteína fueron considerablemente abatidas en el agente tensioactivo nativo, en comparación con las del agente tensioactivo en forma de liposomas uni o multilamelares. Los experimentos de dispersión dinámica de luz indicaron que el agente tensioactivo nativo tiene forma fibrilar con interacciones limitadas entre lípidos y proteínas, lo que sugiere que se encuentra organizado en una estructura en forma de reja formando una película de estructura estable. Los resultados obtenidos resaltan la importancia de la organización molecular del agente tensioactivo. Cuando éste fue usado para tratar a los animales con síndrome de dificultad respiratoria, los valores del pH arterial y de PaCO2 mejoraron casi hasta alcanzar los valores normales; cuando se utilizó el agente tensioactivo reconstituído como liposomas uni o multilamelares, los animales no se recuperaron. Es importante enfatizar que el método seguido en el protocolo de aislamiento del agente tensioactivo pulmonar de ternera permitió obtenerlo en una forma fisiológicamente activa.Surfactant, a highly surface-active material composed of phospholipids, neutral lipids and proteins, lines the lungs' alveolar surface facilitating alveolar ventilation. The molecular organization of surfactant components isolated from calf-lungs was

  13. Psicoanálisis y ciencia, bases del desencuentro

    OpenAIRE

    Horacio C. Foladori

    2012-01-01

    El autor presenta en primer lugar los fundamentos conceptuales que dieron origen al psicoanálisis, siguiendo las influencias de época que recibe Freud y argumentando que éste construyó el psicoanálisis como una ciencia más dentro del territorio que definieron las ciencias de la naturaleza. Luego problematiza algunos temas que la ciencia deja de lado en su consideración sobre los cuales el psicoanálisis puede aportar: el problema del sujeto de la ciencia y el problema del pensamiento y la lógi...

  14. Sobre moléculas, genes y plantas. Biología molecular del endospermo de los cereales

    OpenAIRE

    García Olmedo, Francisco; Carbonero Zalduegui, Pilar; Aragoncillo Ballesteros, Cipriano; Salcedo Duran, Gabriel; Hernandez Lucas, Carlos; Sánchez-Monge Laguna de Rins, Rosa; Delibes Castro, Angeles; Paz Ares, Javier; Ponz Ascaso, Fernando

    1985-01-01

    El presente articulo revisa sucintamente un conjunto de investigaciones sobre la biología molecular de un tejido vegetal, el endospermo de los cereales, que puede considerarse el producto comestible mas importante a escala mundial. en dichas investigaciones se han utilizado técnicas bioquímicas, citogeneticas y de ingeniería genética para el conocimiento básico y la manipulación practica del conjunto de especies cultivadas denominadas cereales. los estudios realizados han abarcado los siguien...

  15. Descifrando las bases moleculares de la resistencia cuantitativa

    Directory of Open Access Journals (Sweden)

    Lopez Camilo

    2011-08-01

    Full Text Available Uno de los factores mas importantes que afectan los cultivos son las enfermedades ocasionadas por los patógenos. La resistencia vegetal ha sido clásicamente dividida en dos tipos: i competa, vertical o cualitativa que es gobernada por un solo gen y ii incompleta, horizontal o cuantitativa la cual es gobernada por varios genes. Aunque la resistencia cuantitativa provee resistencia de amplio espectro y es durable, los mecanismo moleculares subyacentes no han sido estudiados en detalle. En esta revisión se propone un modelo basado en la co-localización de genes similares a los clásicos genes de resistencia cualitativa con QTLs (Quantitative Trait Loci para explicar el mecanismo involucrado en el reconocimiento del patógeno durante la resistencia cuantitativa. Además se presenta información acerca del progreso obtenido en los últimos tres años para entender este tipo de resistencia, que culminó con la clonación de varios genes asociados a la resistencia cuantitativa. En conjunto, estos datos proveen nuevas luces sobre la naturaleza genética de este tipo de resistencia y de cómo puede ser empleada en programas de mejoramiento genético.

  16. Environmental Phosphorus Recovery Based on Molecular Bioscavengers

    DEFF Research Database (Denmark)

    Gruber, Mathias Felix

    pressure to develop sustainable phosphorus practices as well as new technologies for phosphorus recovery. Nature has spent billions of years refining proteins that interact with phosphates. This has inspired the present work where the overall ambitions are: to facilitate the development of a recovery......Phosphorus is a ubiquitous element of all known life and as such it is found throughout numerous key molecules related to various cellular functions. The supply of phosphorus is tightly linked to global food security, since phosphorus is used to produce agricultural fertilizers, without which it...... would not be possible to feed the world population. Sadly, the current supply of phosphorus is based on the gradual depletion of limited fossil reserves, and some estimates predict that within 15-25 years we will consume more phosphorus than we can produce. There is therefore a strong international...

  17. ANÁLISIS CLÍNICO Y MOLECULAR DE UNA PACIENTECON PENTASOMIA DEL CROMOSOMA X. Clinical and Molecular Analysis of a Patient with X-Chromosome Pentasomy.

    Directory of Open Access Journals (Sweden)

    HEIDI ELIANA MATEUS ARBELAEZ

    Full Text Available Introducción: la Pentasomia del X (49,XXXXX es una alteración cromosómica poco frecuente, que afecta a mujeres y fue descrita en 1963 por Kesaree y Wooley. Hasta la fecha se han reportado menos de 30 casos en la literatura. Se presenta un caso de pentasomia del cromosoma X, y mediante técnicas de biología molecular (microsatélites se determino el origen materno de los cromosomas X adicionales. Caso clínico: paciente de 28 meses, con talla baja proporcionada, braquicefalia, fascies característica, genitales externos femeninos con labios mayores hipoplásicos, braquidactilia, clinodactilia bilateral del quinto dedo, luxación de rodilla derecha, deformidad en varo. Se realizó cariotipo en sangre periférica que reportó un complemento cromosómico 49,XXXXX. Materiales y métodos: se realizó extracción de ADN y PCR para la amplificación de ocho microsatélites o STR’s tetra y dinucleotídicos situados a lo largo del cromosoma X. Los productos amplificados se analizaron en el secuenciador ALF EXPRESS. Con la información alélica se realizó la construcción del haplotipo y el análisis de dosis génica mediante la determinación del área bajo la curva. Resultados y discusión: el análisis de los ocho STR’s realizados en la paciente y sus padres, permitió establecer que los cromosomas X extras corresponden a información alélica heredada de la madre. Se analizan los resultados y los eventos que se han documentado como relacionados con los fenómenos de no disyunción. Conclusión: el origen de la doble no disyunción que generó la pentasomia es materna, en donde un ovulo tetrasómico, con cuatro copias de cromosoma X fue fecundado con un espermatozoide monosómico normal.Introduction: Pentasomy X is a rare chromosomal disorder which affects women. It was first described in 1963 by Kesaree and Wooley. Up to date, less than 30 cases have been reported. We report a case of 28 month old female patient with clinical features of

  18. Molecular partitioning based on the kinetic energy density

    Science.gov (United States)

    Noorizadeh, Siamak

    2016-05-01

    Molecular partitioning based on the kinetic energy density is performed to a number of chemical species, which show non-nuclear attractors (NNA) in their gradient maps of the electron density. It is found that NNAs are removed using this molecular partitioning and although the virial theorem is not valid for all of the basins obtained in the being used AIM, all of the atoms obtained using the new approach obey this theorem. A comparison is also made between some atomic topological parameters which are obtained from the new partitioning approach and those calculated based on the electron density partitioning.

  19. Induced base transistor fabricated by molecular beam epitaxy

    Science.gov (United States)

    Chang, C.-Y.; Liu, W. C.; Jame, M. S.; Wang, Y. H.; Luryi, S.

    1986-09-01

    A novel three-terminal hot-electron device, the induced base transistor (IBT), has been fabricated by molecular beam epitaxy. Two-dimensional electron gas induced by the applied collector field in an undoped GaAs quantum well is used as the base of the IBT. The common-base current gain alpha has been achieved as high as 0.96 under a collector bias of 2.5 V and an emitter current of 3 mA.

  20. Revisitar los fundamentos del constructivismo: las bases éticas y religiosas del pensamiento psicopedagógico del joven Piaget

    Directory of Open Access Journals (Sweden)

    Maria FORMOSHINO

    2014-12-01

    Full Text Available El pensamiento de Piaget se basa en un marco conceptual ecléctico integrado por varias líneas teóricas. Así, el presente estudio tiene como objetivo explicitar las bases metafísicas y teológicas del proyecto intelectual del joven Piaget para demostrar la relativa unidad y continuidad entre las categorías forjadas para tratar cuestiones teológicas y éticas y las categorías biopsicopedagógicas, prestando especial atención a la dialéctica inmanencia-trascendencia y conflicto-cooperación. En efecto, si la importancia formativa de las primeras exploraciones biológicas de Piaget ya fue estudiada cuidadosamente, las cuestiones referidas a los fundamentos religiosos o teológicos del pensamiento del joven Piaget en los años 1910-1920 han sido menos desarrolladas. Sin embargo, sostenemos que la elucidación de su ética protestante inmanentista ofrece una valiosa clave hermenéutica para entender la necesidad lógica de la transición de Piaget a la experimentación psicológica y, por lo tanto, a la construcción de conceptos explicativos en la epistemología genética, permitiendo reconocer el valor de la Educación Activa, defendida y praticada en el Instituto J.-J. Rousseau.

  1. Bienvenida la Medicina Molecular

    OpenAIRE

    Orlando R. Serrano-Barrera

    2015-01-01

    No ha cambiado la medicina, sino que ha avanzado. Los métodos clínico-epidemiológicos  incluyen hoy y se benefician del conocimiento de las bases moleculares del proceso salud-enfermedad, tanto las variaciones individuales, como los caracteres compartidos por comunidades y poblaciones, que las hacen resistentes o vulnerables a una enfermedad. La estimación presintomática e, incluso, prenatal del riesgo de enfermar, el diagnóstico, el pronóstico, la elección del tratamiento más ajustado al pac...

  2. Plasticidad del sistema nervioso

    Directory of Open Access Journals (Sweden)

    L. M. Garcia-Segura

    1976-06-01

    Full Text Available En este trabajo se revisan los conocimientos más recientes sobre el fenómeno de la plasticidad del sistéma nervioso, tanto a nivel morfológico como a nivel fisiológico y molecular. Se estudian los cambios morfólogicos y fisiológicos de las neuronas frente a la experiencia. Tambien se considera la adaptación molecular del sistéma nervioso a la información que recibe como la base de todo tipo de plasticidad.

  3. Monitorización molecular de la ecología levaduriforme del mosto al vino

    OpenAIRE

    Ramos Ballesteros, Álvaro

    2015-01-01

    La calidad, tipicidad y singularidad de un vino están directamente relacionadas con las poblaciones de levaduras que intervienen en el proceso fermentativo, desde la obtención del mosto hasta el vino. El presente trabajo fin de grado pretende el análisis de la ecología de las levaduras desde el mosto hasta el vino, en una bodega de la Denominación de Origen Rueda. En primer lugar se realiza una revisión bibliográfica sobre la gran importancia del estudio de distintas poblaciones microbi...

  4. Protein analysis based on molecular beacon probes and biofunctionalized nanoparticles

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    With the completion of the human genome-sequencing project, there has been a resulting change in the focus of studies from genomics to proteomics. By utilizing the inherent advantages of molecular beacon probes and biofunctionalized nanoparticles, a series of novel principles, methods and techniques have been exploited for bioanalytical and biomedical studies. This review mainly discusses the applications of molecular beacon probes and biofunctionalized nanoparticles-based technologies for realtime, in-situ, highly sensitive and highly selective protein analysis, including the nonspecific or specific protein detection and separation, protein/DNA interaction studies, cell surface protein recognition, and antigen-antibody binding process-based bacteria assays. The introduction of molecular beacon probes and biofunctionalized nanoparticles into the protein analysis area would necessarily advance the proteomics research.

  5. Physically based molecular device model in a transient circuit simulator

    International Nuclear Information System (INIS)

    Two efficient, physically based models for the real-time simulation of molecular device characteristics of single molecules are developed. These models assume that through-molecule tunnelling creates a steady-state Lorentzian distribution of excess electron density on the molecule and provides for smooth transitions for the electronic degrees of freedom between the tunnelling, molecular-excitation, and charge-hopping transport regimes. They are implemented in the fREEDATM transient circuit simulator to allow for the full integration of nanoscopic molecular devices in standard packages that simulate entire devices including CMOS circuitry. Methods are presented to estimate the parameters used in the models via either direct experimental measurement or density-functional calculations. The models require 6-8 orders of magnitude less computer time than do full a priori simulations of the properties of molecular components. Consequently, molecular components can be efficiently implemented in circuit simulators. The molecular-component models are tested by comparison with experimental results reported for 1,4-benzenedithiol

  6. Bases pedagógicas del e-learning

    OpenAIRE

    Cabero Almenara, Julio

    2006-01-01

    En este artículo del curso se pretende ofrecer una visión de conjunto de las características más significativas del e-learning. Tras una definición del mismo, las diferencias que se establecen con las modalidades presenciales de enseñanza y el análisis de las ventajas y de los inconvenientes más generales, se señala que su importancia para la formación no se encuentra en su dimensión técnica (por ejemplo, en la plataforma utilizada), sino más bien en el control y en la significación de una se...

  7. Molecular Recognition: Detection of Colorless Compounds Based on Color Change

    Science.gov (United States)

    Khalafi, Lida; Kashani, Samira; Karimi, Javad

    2016-01-01

    A laboratory experiment is described in which students measure the amount of cetirizine in allergy-treatment tablets based on molecular recognition. The basis of recognition is competition of cetirizine with phenolphthalein to form an inclusion complex with ß-cyclodextrin. Phenolphthalein is pinkish under basic condition, whereas it's complex form…

  8. Fullerene-based Anchoring Groups for Molecular Electronics

    DEFF Research Database (Denmark)

    Martin, Christian A.; Ding, Dapeng; Sørensen, Jakob Kryger;

    2008-01-01

    We present results on a new fullerene-based anchoring group for molecular electronics. Using lithographic mechanically controllable break junctions in vacuum we have determined the conductance and stability of single-molecule junctions of 1,4-bis(fullero[c]pyrrolidin-1-yl)benzene. The compound can...

  9. Intelligent DNA-based molecular diagnostics using linked genetic markers

    Energy Technology Data Exchange (ETDEWEB)

    Pathak, D.K.; Perlin, M.W.; Hoffman, E.P.

    1994-12-31

    This paper describes a knowledge-based system for molecular diagnostics, and its application to fully automated diagnosis of X-linked genetic disorders. Molecular diagnostic information is used in clinical practice for determining genetic risks, such as carrier determination and prenatal diagnosis. Initially, blood samples are obtained from related individuals, and PCR amplification is performed. Linkage-based molecular diagnosis then entails three data analysis steps. First, for every individual, the alleles (i.e., DNA composition) are determined at specified chromosomal locations. Second, the flow of genetic material among the individuals is established. Third, the probability that a given individual is either a carrier of the disease or affected by the disease is determined. The current practice is to perform each of these three steps manually, which is costly, time consuming, labor-intensive, and error-prone. As such, the knowledge-intensive data analysis and interpretation supersede the actual experimentation effort as the major bottleneck in molecular diagnostics. By examining the human problem solving for the task, we have designed and implemented a prototype knowledge-based system capable of fully automating linkage-based molecular diagnostics in X-linked genetic disorders, including Duchenne Muscular Dystrophy (DMD). Our system uses knowledge-based interpretation of gel electrophoresis images to determine individual DNA marker labels, a constraint satisfaction search for consistent genetic flow among individuals, and a blackboard-style problem solver for risk assessment. We describe the system`s successful diagnosis of DMD carrier and affected individuals from raw clinical data.

  10. Inactivación y reactivación del surfactante pulmonar: mecanismos moleculares e implicación en patologías respiratorias = Inactivation and reactivation of pulmonary surfactant: molecular mechanisms and implication in respiratory pathologies

    OpenAIRE

    López Rodríguez, Elena

    2012-01-01

    La inactivación del surfactante pulmonar se encuentra asociada a muchas patologías respiratorias, como el síndrome de aspiración de meconio (MAS), síndrome del distrés respiratorio agudo (ARDS) o fibrosis pulmonar idiopática (IPF), que da lugar tensiones superficiales elevadas en la interfase alveolar. Las causas de la inactivación del surfactante son diferentes en origen y en su mecanismo molecular. Así, muchos agentes inactivadores llegan a los pulmones, como el meconio, durante el MAS, o s...

  11. Accelerating convergence of molecular dynamics-based structural relaxation

    DEFF Research Database (Denmark)

    Christensen, Asbjørn

    2005-01-01

    We describe strategies to accelerate the terminal stage of molecular dynamics (MD)based relaxation algorithms, where a large fraction of the computational resources are used. First, we analyze the qualitative and quantitative behavior of the QuickMin family of MD relaxation algorithms and explore...... the influence of spectral properties and dimensionality of the molecular system on the algorithm efficiency. We test two algorithms, the MinMax and Lanczos, for spectral estimation from an MD trajectory, and use this to derive a practical scheme of time step adaptation in MD relaxation algorithms to...

  12. Chemical sensors based on molecularly modified metallic nanoparticles

    International Nuclear Information System (INIS)

    This paper presents a concise, although admittedly non-exhaustive, didactic review of some of the main concepts and approaches related to the use of molecularly modified metal nanoparticles in or as chemical sensors. This paper attempts to pull together different views and terminologies used in sensors based on molecularly modified metal nanoparticles, including those established upon electrochemical, optical, surface Plasmon resonance, piezoelectric and electrical transduction approaches. Finally, this paper discusses briefly the main advantages and disadvantages of each of the presented class of sensors. (review article)

  13. Caracterización molecular con marcadores RAM de árboles nativos de Psidium guajava (guayaba) en el Valle del Cauca

    OpenAIRE

    Sanabria Hilsy L

    2006-01-01

    COMPENDIO Se evaluaron 53 accesiones de Psidium guajava Valle del Cauca, utilizando marcadores microsatélites aleatorios RAM. Los seis primeros usados generaron 74 bandas polimórficas, con pesos moleculares de 100 a 700 pb. El porcentaje de loci Polimórfico en cinco de los primeros resultó ser del 100% (P < 0.05) y la diversidad génica de 0.4386. El Análisis de Varianza Molecular (AMOVA) reveló que el 64.51% de la varianza total haplotípica contabiliza para variaciones dentro de...

  14. Microchip-based Devices for Molecular Diagnosis of Genetic Diseases.

    Science.gov (United States)

    Cheng; Fortina; Surrey; Kricka; Wilding

    1996-09-01

    Microchips, constructed with a variety of microfabrication technologies (photolithography, micropatterning, microjet printing, light-directed chemical synthesis, laser stereochemical etching, and microcontact printing) are being applied to molecular biology. The new microchip-based analytical devices promise to solve the analytical problems faced by many molecular biologists (eg, contamination, low throughput, and high cost). They may revolutionize molecular biology and its application in clinical medicine, forensic science, and environmental monitoring. A typical biochemical analysis involves three main steps: (1) sample preparation, (2) biochemical reaction, and (3) detection (either separation or hybridization may be involved) accompanied by data acquisition and interpretation. The construction of a miniturized analyzer will therefore necessarily entail the miniaturization and integration of all three of these processes. The literature related to the miniaturization of these three processes indicates that the greatest emphasis so far is on the investigation and development of methods for the detection of nucleic acid, followed by the optimization of a biochemical reaction, such as the polymerase chain reaction. The first step involving sample preparation has received little attention. In this review the state of the art of, microchip-based, miniaturized analytical processes (eg, sample preparation, biochemical reaction, and detection of products) are outlined and the applications of microchip-based devices in the molecular diagnosis of genetic diseases are discussed. PMID:10462559

  15. El dominio del comportamiento como base del significado en psicología

    OpenAIRE

    Moreno Rodríguez, Rafael

    1992-01-01

    Como instrumento metodológico se propone un esquema de análisis que, reconociendo el papel pionero del conductismo radical, pretende ser generalizable a cualquier forma no mentalista de concebir el objeto de estudio psicológico. Se argumenta que cada instancia comportamental sólo puede ser entendida en función de algún conjunto o dominio de ellas mismas. Para un mejor entendimiento de tales conjuntos son presentados a niveles de presupuestos generales, de conceptos teóricos y de procedimiento...

  16. Gesture Interaction Browser-Based 3D Molecular Viewer.

    Science.gov (United States)

    Virag, Ioan; Stoicu-Tivadar, Lăcrămioara; Crişan-Vida, Mihaela

    2016-01-01

    The paper presents an open source system that allows the user to interact with a 3D molecular viewer using associated hand gestures for rotating, scaling and panning the rendered model. The novelty of this approach is that the entire application is browser-based and doesn't require installation of third party plug-ins or additional software components in order to visualize the supported chemical file formats. This kind of solution is suitable for instruction of users in less IT oriented environments, like medicine or chemistry. For rendering various molecular geometries our team used GLmol (a molecular viewer written in JavaScript). The interaction with the 3D models is made with Leap Motion controller that allows real-time tracking of the user's hand gestures. The first results confirmed that the resulting application leads to a better way of understanding various types of translational bioinformatics related problems in both biomedical research and education. PMID:27350455

  17. Capacity of Diffusion-based Molecular Communication with Ligand Receptors

    CERN Document Server

    Einolghozati, Arash; Fekri, Faramarz

    2012-01-01

    A diffusion-based molecular communication system has two major components: the diffusion in the medium, and the ligand-reception. Information bits, encoded in the time variations of the concentration of molecules, are conveyed to the receiver front through the molecular diffusion in the medium. The receiver, in turn, measures the concentration of the molecules in its vicinity in order to retrieve the information. This is done via ligand-reception process. In this paper, we develop models to study the constraints imposed by the concentration sensing at the receiver side and derive the maximum rate by which a ligand-receiver can receive information. Therefore, the overall capacity of the diffusion channel with the ligand receptors can be obtained by combining the results presented in this paper with our previous work on the achievable information rate of molecular communication over the diffusion channel.

  18. Optically induced transport through semiconductor-based molecular electronics

    International Nuclear Information System (INIS)

    A tight binding model is used to investigate photoinduced tunneling current through a molecular bridge coupled to two semiconductor electrodes. A quantum master equation is developed within a non-Markovian theory based on second-order perturbation theory with respect to the molecule-semiconductor electrode coupling. The spectral functions are generated using a one dimensional alternating bond model, and the coupling between the molecule and the electrodes is expressed through a corresponding correlation function. Since the molecular bridge orbitals are inside the bandgap between the conduction and valence bands, charge carrier tunneling is inhibited in the dark. Subject to the dipole interaction with the laser field, virtual molecular states are generated via the absorption and emission of photons, and new tunneling channels open. Interesting phenomena arising from memory are noted. Such a phenomenon could serve as a switch

  19. Graph-based interpretation of the Molecular Interstellar Medium Segmentation

    CERN Document Server

    Colombo, Dario; Ginsburg, Adam; Duarte-Cabral, Ana; Hughes, Annie

    2015-01-01

    We present a generalization of the Giant Molecular Cloud (GMC) identification problem based on cluster analysis. The method we designed, SCIMES (Spectral Clustering for Interstellar Molecular Emission Segmentation) considers the dendrogram of emission in the broader framework of graph theory and utilizes spectral clustering to find discrete regions with similar emission properties. For Galactic molecular cloud structures, we show that the characteristic volume and/or integrated CO luminosity are useful criteria to define the clustering, yielding emission structures that closely reproduce "by-eye" identification results. SCIMES performs best on well-resolved, high-resolution data, making it complementary to other available algorithms. Using 12CO(1-0) data for the Orion-Monoceros complex, we demonstrate that SCIMES provides robust results against changes of the dendrogram-construction parameters, noise realizations and degraded resolution. By comparing SCIMES with other cloud decomposition approaches, we show t...

  20. Bio-Mimetic Sensors Based on Molecularly Imprinted Membranes

    Directory of Open Access Journals (Sweden)

    Catia Algieri

    2014-07-01

    Full Text Available An important challenge for scientific research is the production of artificial systems able to mimic the recognition mechanisms occurring at the molecular level in living systems. A valid contribution in this direction resulted from the development of molecular imprinting. By means of this technology, selective molecular recognition sites are introduced in a polymer, thus conferring it bio-mimetic properties. The potential applications of these systems include affinity separations, medical diagnostics, drug delivery, catalysis, etc. Recently, bio-sensing systems using molecularly imprinted membranes, a special form of imprinted polymers, have received the attention of scientists in various fields. In these systems imprinted membranes are used as bio-mimetic recognition elements which are integrated with a transducer component. The direct and rapid determination of an interaction between the recognition element and the target analyte (template was an encouraging factor for the development of such systems as alternatives to traditional bio-assay methods. Due to their high stability, sensitivity and specificity, bio-mimetic sensors-based membranes are used for environmental, food, and clinical uses. This review deals with the development of molecularly imprinted polymers and their different preparation methods. Referring to the last decades, the application of these membranes as bio-mimetic sensor devices will be also reported.

  1. AC-ELECTROKINETICS BASED TOOLS IN NANOENGINEERING AND MOLECULAR ELECTRONICS

    Directory of Open Access Journals (Sweden)

    R. Durán

    2005-08-01

    Full Text Available Slllcon-based mlcroeledronics has been following the integration prognosls of MOORE's Law durlng the past decades and posslbly will do so for another decade or two. Physlcal, technological and also flnancialllmlts In the foreseeable future will slow down the contlnued expansiOn of this branch of mlcroeledronlcs and instead wlll force a new technological approach based on molecular-scale eledronics (MOLETRONICS. New tools are needed to allow molecular devlce manufaduring and nanoscale engineering with hlgh precision and produdivlty. One group of methods with the potentlal for use In such a manufaduring process Is based on a.c. eledrokinetlcs effeds, which are descrlbed and discussed in this paper.

  2. Tipificación Molecular del Vibrio cholerae O1 en el Perú

    Directory of Open Access Journals (Sweden)

    Huguet T José

    2000-01-01

    Full Text Available Este estudio de ribotipificación en 75 cepas de Vibrio cholerae O1 permitió identificar tres variantes ribotípicas, referidas como Per1, Per2 y Per3, aisladas durante el periodo 1991- 1999 en el Perú. La variante Per1 fue reportada tanto en la etapa epidémica y endémica del cólera, mientras que Per2 y Per3 se relacionaron sólo con la etapa endémica. Los resultados mostraron además una aparición constante y mayoritaria de la variante Per1, poniendo en evidencia la emergencia de un mismo grupo clonal en los brotes epidémicos del Perú. Las variantes ribotípicas encontradas fueron comparadas con los ribotipos de diferentes cepas referenciales de V. cholerae previamente caracterizadas. Se observó una identidad total del ribotipo Per1 con la variante ribotípica de aislamientos Asiáticos (Tailandia, encontrándose además altos índices de similitud entre los ribotipos Per1, Per2 y Per3, y evidenciándose una estrecha relación entre las cepas peruanas y los aislamientos asiáticos.

  3. Optimizing legacy molecular dynamics software with directive-based offload

    Science.gov (United States)

    Michael Brown, W.; Carrillo, Jan-Michael Y.; Gavhane, Nitin; Thakkar, Foram M.; Plimpton, Steven J.

    2015-10-01

    Directive-based programming models are one solution for exploiting many-core coprocessors to increase simulation rates in molecular dynamics. They offer the potential to reduce code complexity with offload models that can selectively target computations to run on the CPU, the coprocessor, or both. In this paper, we describe modifications to the LAMMPS molecular dynamics code to enable concurrent calculations on a CPU and coprocessor. We demonstrate that standard molecular dynamics algorithms can run efficiently on both the CPU and an x86-based coprocessor using the same subroutines. As a consequence, we demonstrate that code optimizations for the coprocessor also result in speedups on the CPU; in extreme cases up to 4.7X. We provide results for LAMMPS benchmarks and for production molecular dynamics simulations using the Stampede hybrid supercomputer with both Intel®  Xeon Phi™ coprocessors and NVIDIA GPUs. The optimizations presented have increased simulation rates by over 2X for organic molecules and over 7X for liquid crystals on Stampede. The optimizations are available as part of the "Intel package" supplied with LAMMPS.

  4. Graph-based interpretation of the molecular interstellar medium segmentation

    Science.gov (United States)

    Colombo, D.; Rosolowsky, E.; Ginsburg, A.; Duarte-Cabral, A.; Hughes, A.

    2015-12-01

    We present a generalization of the giant molecular cloud identification problem based on cluster analysis. The method we designed, SCIMES (Spectral Clustering for Interstellar Molecular Emission Segmentation) considers the dendrogram of emission in the broader framework of graph theory and utilizes spectral clustering to find discrete regions with similar emission properties. For Galactic molecular cloud structures, we show that the characteristic volume and/or integrated CO luminosity are useful criteria to define the clustering, yielding emission structures that closely reproduce `by-eye' identification results. SCIMES performs best on well-resolved, high-resolution data, making it complementary to other available algorithms. Using 12CO(1-0) data for the Orion-Monoceros complex, we demonstrate that SCIMES provides robust results against changes of the dendrogram-construction parameters, noise realizations and degraded resolution. By comparing SCIMES with other cloud decomposition approaches, we show that our method is able to identify all canonical clouds of the Orion-Monoceros region, avoiding the overdivision within high-resolution survey data that represents a common limitation of several decomposition algorithms. The Orion-Monoceros objects exhibit hierarchies and size-line width relationships typical to the turbulent gas in molecular clouds, although `the Scissors' region deviates from this common description. SCIMES represents a significant step forward in moving away from pixel-based cloud segmentation towards a more physical-oriented approach, where virtually all properties of the ISM can be used for the segmentation of discrete objects.

  5. Bases de la fertilización racional del olivar

    OpenAIRE

    Fernández Escobar, Ricardo

    2007-01-01

    La fertilización del olivar se fundamenta, por lo general, en la repetición de un plan preestablecido en ausencia de métodos de diagnóstico que le sirvan de guía. Esta práctica está llevando tanto a la aplicación en exceso de fertilizantes, como a la aparición de deficiencias. El análisis foliar es una técnica que aporta información suficiente para realizar un diagnóstico correcto del estado nutritivo de un cultivo. Su uso continuado permitirá optimizar y racionalizar la práctica de la fertil...

  6. Sobre las bases prejurídicas del derecho ambiental

    OpenAIRE

    Souvirón Morenilla, José María

    2015-01-01

    La preocupación por el ambiente, en sí mismo considerado y en su relación con el ser humano, son un fenómeno característico de nuestro tiempo. Sobre este soporte científico y la paralela reflexión ética, el ambiente se ha incorporado de modo progresivo también al campo del Derecho y la protección del ambiente se ha convertido en un título legitimador de la intervención de los poderes públicos decididamente expansivo.Dado el riesgo global que el problema ambiental hoy suscita, n...

  7. [Evolution and systematics of nematodes based on molecular investigation].

    Science.gov (United States)

    Okulewicz, Anna; Perec, Agnieszka

    2004-01-01

    Evolution and systematics of nematodes based on molecular investigation. The use of molecular phylogenetics to examine the interrelationships between animal parasites, free-living nematodes, and plant parasites versus traditional classification based on morphological-ecological characters was discussed and reviewed. Distinct differences were observed between parasitic nematodes and free-living ones. Within the former group, animal parasites turned out to be distinctly different from plant parasites. Using small subunit of ribosomal RNA gene sequence from a wide range of nematodes, there is a possibility to compare animal-parasitic, plant-parasitic and free-living taxa. Nowadays the parasitic nematodes expressed sequence tag (EST) project is currently generating sequence information to provide a new source of data to examine the evolutionary history of this taxonomic group. PMID:16859012

  8. Applications of Case-Based Reasoning in Molecular Biology

    OpenAIRE

    Jurisica, Igor; Glasgow, Janice

    2004-01-01

    Case-based reasoning (CBR) is a computational reasoning paradigm that involves the storage and retrieval of past experiences to solve novel problems. It is an approach that is particularly relevant in scientific domains, where there is a wealth of data but often a lack of theories or general principles. This article describes several CBR systems that have been developed to carry out planning, analysis, and prediction in the domain of molecular biology.

  9. Polarizable Atomic Multipole-based Molecular Mechanics for Organic Molecules

    OpenAIRE

    Ren, Pengyu; Wu, Chuanjie; Ponder, Jay W.

    2011-01-01

    An empirical potential based on permanent atomic multipoles and atomic induced dipoles is reported for alkanes, alcohols, amines, sulfides, aldehydes, carboxylic acids, amides, aromatics and other small organic molecules. Permanent atomic multipole moments through quadrupole moments have been derived from gas phase ab initio molecular orbital calculations. The van der Waals parameters are obtained by fitting to gas phase homodimer QM energies and structures, as well as experimental densities ...

  10. Molecularly Imprinted Polymer Based Sensor for the Detection of Theophylline

    Science.gov (United States)

    Braga, Guilherme S.; Paterno, Leonardo G.; Fonseca, Fernando J.; del Valle, Manel

    2011-11-01

    A molecularly imprinted polymer (MIP) impedance-based sensor was employed to detect theophylline in distilled water. To evaluate its sensibility, impedance measurements were carried out in a diluted solution of theophylline (1 mM) and distilled water using MIP and NIP (reference non-imprinted polymer) sensors. MIP showed higher sensitivity to theophylline than the NIP. This feature shows their suitability for developing an electronic tongue system for determination of methylxanthines.

  11. REPLICACIÓN DEL HERPESVIRUS EQUINO Y SU ASOCIACIÓN CON LA PATOGÉNESIS MOLECULAR Equine Herpesvirus Replication and It’s Association with Molecular Pathogenesis

    Directory of Open Access Journals (Sweden)

    JULIÁN RUIZ SÁENZ

    2006-06-01

    Full Text Available El herpesvirus equino (EHV es uno de los patógenos virales de mayor importancia en la industria equina mundial, debido a las grandes pérdidas económicas que acarrea. La enfermedad comúnmente asociada con el EHV se denomina rinoneumonitis equina y se caracteriza por ser una infección primaria del tracto respiratorio superior, que progresa a través de la mucosa; puede causar aborto en los últimos meses de gestación, muerte perinatal de potros, mortinatos y mieloencefalitis. La infección productiva es seguida por un estado de latencia viral, etapa en la cual el animal no presenta ningún signo clínico de enfermedad y no hay replicación viral. Bajo una situación de estrés, el virus puede reactivarse y caballos infectados infectar a otros caballos sanos. En esta revisión se presenta de manera sintetizada, los principales hallazgos relacionados con la replicación viral y patogénesis molecular del EHV, relacionando además las proteínas implicadas en la regulación de la replicación del genoma, todas las glicoproteínas estructurales que han sido estudiadas hasta el momento y que son el eje central de investigación de distintos grupos en el mundo. Se discute además, la verdadera importancia de la dispersión directa célulacélula del virus, la formación de placas, el crecimiento in vitro y en algunos casos, la asociación con la patogénesis, bien sea en un modelo animal o en el hospedero natural.Equine herpesvirus (EHV is one of the most important viral pathogens in worldwide equine industry, due to the dramatic economic looses incurred by these microorganisms. The clinical disease, commonly called equine rhinopneumonitis, is characterized by initial infection of the upper respiratory tract that progresses through the mucosa; it can cause abortion in the last months of gestation, stillbirth, perinatal death of foals and myeloencephalitis. Productive infection is followed by a state of viral latency during which the animal

  12. Mecanismos moleculares involucrados en la citotoxicidad del agente antitumoral beta-lapachona.

    OpenAIRE

    Menacho-Márquez, Mauricio

    2008-01-01

    Beta-lapachona ( -lap) es un agente antitumoral que induce apoptosis selectivamente en células tumorales. El mecanismo preciso de citotoxicidad de -lap no es aún completamente comprendido. Aquí reportamos que -lap produce un retraso en la progresión del ciclo celular en la transición G1/S, aumenta la fosforilación de la quinasa de control Rad53p y disminuye la supervivencia celular en la levadura de gemación Saccharomyces cerevisiae. Además, -lap induce la fosforilación de histona H2A en l...

  13. Organization of a radioisotope based molecular biology laboratory

    International Nuclear Information System (INIS)

    Polymerase chain reaction (PCR) has revolutionized the application of molecular techniques to medicine. Together with other molecular biology techniques it is being increasingly applied to human health for identifying prognostic markers and drug resistant profiles, developing diagnostic tests and genotyping systems and for treatment follow-up of certain diseases in developed countries. Developing Member States have expressed their need to also benefit from the dissemination of molecular advances. The use of radioisotopes, as a step in the detection process or for increased sensitivity and specificity is well established, making it ideally suitable for technology transfer. Many molecular based projects using isotopes for detecting and studying micro organisms, hereditary and neoplastic diseases are received for approval every year. In keeping with the IAEA's programme, several training activities and seminars have been organized to enhance the capabilities of developing Member States to employ in vitro nuclear medicine technologies for managing their important health problems and for undertaking related basic and clinical research. The background material for this publication was collected at training activities and from feedback received from participants at research and coordination meetings. In addition, a consultants' meeting was held in June 2004 to compile the first draft of this report. Previous IAEA TECDOCS, namely IAEA-TECDOC-748 and IAEA-TECDOC-1001, focused on molecular techniques and their application to medicine while the present publication provides information on organization of the laboratory, quality assurance and radio-safety. The technology has specific requirements of the way the laboratory is organized (e.g. for avoiding contamination and false positives in PCR) and of quality assurance in order to provide accurate information to decision makers. In addition while users of the technology accept the scientific rationale of using radio

  14. Molecular Beacon CNT-based Detection of SNPs

    Science.gov (United States)

    Egorova, V. P.; Krylova, H. V.; Lipnevich, I. V.; Veligura, A. A.; Shulitsky, B. G.; Y Fedotenkova, L.

    2015-11-01

    An fluorescence quenching effect due to few-walled carbon nanotubes chemically modified by carboxyl groups has been utilized to discriminate Single Nucleotide Polymorphism (SNP). It was shown that the complex obtained from these nanotube and singlestranded primer DNA is formed due to stacking interactions between the hexagons of the nanotubes and aromatic rings of nucleotide bases as well as due to establishing of hydrogen bonds between acceptor amine groups of nucleotide bases and donor carboxyl groups of the nanotubes. It has been demonstrated that these complexes may be used to make highly effective DNA biosensors detecting SNPs which operate as molecular beacons.

  15. Three decades of structure- and property-based molecular design

    DEFF Research Database (Denmark)

    Müller, Klaus

    2014-01-01

    Roche has pioneered structure- and property-based molecular design to drug discovery. While this is an ongoing development, the past three decades feature key events that have revolutionized the way drug discovery is conducted in Big Pharma industry. It has been a great privilege to have been...... of bioinformatics. It describes the strategic shift to large compound libraries and high-throughput screening with the development of novel compound storage and ultra-high-throughput screening facilities, as well as the strategic return to focused screening of small motif-based compound libraries...

  16. Identificación molecular y actividad sobre sustratos cromogénicos de la venombina A del veneno de la serpiente peruana Bothrops atrox

    OpenAIRE

    Gustavo A. Sandoval; Fanny Lazo; Edith Rodriguez; Armando Yarlequé; Russolina B. Zingali

    2011-01-01

    En el presente trabajo se ha realizado la identificación molecular de la enzima similar a trombina (EST) del veneno de Bothrops atrox y se ha evaluado su actividad enzimática sobre diversos sustratos sintéticos. La enzima fue purificada utilizando tres pasos cromatrográficos, sobre Sephadex G-75, CM-Sephadex C-50 y Agarosa-PAB, determinándose su peso molecular por PAGE-SDS. La identificación molecular de la enzima aislada se realizó por la técnica de peptide mass fingerprinting basada en espe...

  17. Affinity sensor based on immobilized molecular imprinted synthetic recognition elements.

    Science.gov (United States)

    Lenain, Pieterjan; De Saeger, Sarah; Mattiasson, Bo; Hedström, Martin

    2015-07-15

    An affinity sensor based on capacitive transduction was developed to detect a model compound, metergoline, in a continuous flow system. This system simulates the monitoring of low-molecular weight organic compounds in natural flowing waters, i.e. rivers and streams. During operation in such scenarios, control of the experimental parameters is not possible, which poses a true analytical challenge. A two-step approach was used to produce a sensor for metergoline. Submicron spherical molecularly imprinted polymers, used as recognition elements, were obtained through emulsion polymerization and subsequently coupled to the sensor surface by electropolymerization. This way, a robust and reusable sensor was obtained that regenerated spontaneously under the natural conditions in a river. Small organic compounds could be analyzed in water without manipulating the binding or regeneration conditions, thereby offering a viable tool for on-site application. PMID:25703726

  18. Classical molecular dynamics investigations of biphenyl-based carbon nanomembranes

    Directory of Open Access Journals (Sweden)

    Andreas Mrugalla

    2014-06-01

    Full Text Available Background: Free-standing carbon nanomembranes (CNM with molecular thickness and macroscopic size are fascinating objects both for fundamental reasons and for applications in nanotechnology. Although being made from simple and identical precursors their internal structure is not fully known and hard to simulate due to the large system size that is necessary to draw definite conclusions.Results: We performed large-scale classical molecular dynamics investigations of biphenyl-based carbon nanomembranes. We show that one-dimensional graphene-like stripes constitute a highly symmetric quasi one-dimensional energetically favorable ground state. This state does not cross-link. Instead cross-linked structures are formed from highly excited precursors with a sufficient amount of broken phenyls.Conclusion: The internal structure of the CNM is very likely described by a disordered metastable state which is formed in the energetic initial process of electron irradiation and depends on the process of relaxation into the sheet phase.

  19. Photomechanical Bending of Azobenzene-Based Photochromic Molecular Fibers

    Directory of Open Access Journals (Sweden)

    Riku Matsui

    2013-03-01

    Full Text Available Microfibers composed of azobenzene-based photochromic amorphous molecular materials, namely low molecular-mass photochromic materials with a glass-forming property, could be fabricated. These fibers were found to exhibit mechanical bending motion upon irradiation with a laser beam. In addition, the bending direction could be controlled by altering the polarization direction of the irradiated light without changing the position of the light source or the wavelength of the light. In-situ fluorescence observation of mass transport induced at the surface of the fiber doped with CdSe quantum dots suggested that the bending motions were related with the photoinduced mass transport taking place near the irradiated surface of the fiber.

  20. Estructura molecular y cristalina del bis (bis(dietilamino) glioximato) níquel (ii)

    OpenAIRE

    Nuvan, Luis Alejandro; De Matheus, Marina

    2009-01-01

    Ni(CioH2lN402)2- monoclínico, grupo espacial P2i/a, a = 15.760 (2), b = 11.793 (3), c = 7.297 (1) A°, j3 = 99.10 (1)°, V = 1339.0 (7) A°3, Z = 2 , De = 1.28 Mg M " \\ M = 765 M " ' . La estructura fue resuelta por el método del átomo pesado y afinada por mínimos cuadrados, utilizando la matriz completa, hasta obtener una concordancia R = 0.068 para todas las reflexiones observadas. El átomo de níquel está localizado en un centro de inversión y presenta una coordinación cuadrado planar. El comp...

  1. Tunneling Nanoelectromechanical Switches Based on Compressible Molecular Thin Films.

    Science.gov (United States)

    Niroui, Farnaz; Wang, Annie I; Sletten, Ellen M; Song, Yi; Kong, Jing; Yablonovitch, Eli; Swager, Timothy M; Lang, Jeffrey H; Bulović, Vladimir

    2015-08-25

    Abrupt switching behavior and near-zero leakage current of nanoelectromechanical (NEM) switches are advantageous properties through which NEMs can outperform conventional semiconductor electrical switches. To date, however, typical NEMs structures require high actuation voltages and can prematurely fail through permanent adhesion (defined as stiction) of device components. To overcome these challenges, in the present work we propose a NEM switch, termed a "squitch," which is designed to electromechanically modulate the tunneling current through a nanometer-scale gap defined by an organic molecular film sandwiched between two electrodes. When voltage is applied across the electrodes, the generated electrostatic force compresses the sandwiched molecular layer, thereby reducing the tunneling gap and causing an exponential increase in the current through the device. The presence of the molecular layer avoids direct contact of the electrodes during the switching process. Furthermore, as the layer is compressed, the increasing surface adhesion forces are balanced by the elastic restoring force of the deformed molecules which can promote zero net stiction and recoverable switching. Through numerical analysis, we demonstrate the potential of optimizing squitch design to enable large on-off ratios beyond 6 orders of magnitude with operation in the sub-1 V regime and with nanoseconds switching times. Our preliminary experimental results based on metal-molecule-graphene devices suggest the feasibility of the proposed tunneling switching mechanism. With optimization of device design and material engineering, squitches can give rise to a broad range of low-power electronic applications. PMID:26244821

  2. Polarizable Atomic Multipole-based Molecular Mechanics for Organic Molecules.

    Science.gov (United States)

    Ren, Pengyu; Wu, Chuanjie; Ponder, Jay W

    2011-10-11

    An empirical potential based on permanent atomic multipoles and atomic induced dipoles is reported for alkanes, alcohols, amines, sulfides, aldehydes, carboxylic acids, amides, aromatics and other small organic molecules. Permanent atomic multipole moments through quadrupole moments have been derived from gas phase ab initio molecular orbital calculations. The van der Waals parameters are obtained by fitting to gas phase homodimer QM energies and structures, as well as experimental densities and heats of vaporization of neat liquids. As a validation, the hydrogen bonding energies and structures of gas phase heterodimers with water are evaluated using the resulting potential. For 32 homo- and heterodimers, the association energy agrees with ab initio results to within 0.4 kcal/mol. The RMS deviation of hydrogen bond distance from QM optimized geometry is less than 0.06 Å. In addition, liquid self-diffusion and static dielectric constants computed from molecular dynamics simulation are consistent with experimental values. The force field is also used to compute the solvation free energy of 27 compounds not included in the parameterization process, with a RMS error of 0.69 kcal/mol. The results obtained in this study suggest the AMOEBA force field performs well across different environments and phases. The key algorithms involved in the electrostatic model and a protocol for developing parameters are detailed to facilitate extension to additional molecular systems. PMID:22022236

  3. Dinámica no lineal del movimiento vibracional del sistema molecular HCN/HNC: Correspondencia entre la mecánica clásica y la mecánica cuántica

    OpenAIRE

    Seidel Gómez de Quero, Luis

    2001-01-01

    El objetivo de la Tesis es el estudio sistemático de la dinámica vibracional de un sistema molecular triatómico no rígido, HCN/HNC, en la aproximación de Born-Oppenheimer, utilizando una superficie de energía potencial realista y limitando a dos el número de grados de libertad del sistema. Se ha estudiado la estructura del espacio de fases clásico utilizando superficies de sección de Poincaré compuestas y se comprobado que la dinámica: clásica del sistema presenta regiones de comportamiento r...

  4. Identificación molecular y actividad sobre sustratos cromogénicos de la venombina A del veneno de la serpiente peruana Bothrops atrox

    Directory of Open Access Journals (Sweden)

    Gustavo A. Sandoval

    2011-05-01

    Full Text Available En el presente trabajo se ha realizado la identificación molecular de la enzima similar a trombina (EST del veneno de Bothrops atrox y se ha evaluado su actividad enzimática sobre diversos sustratos sintéticos. La enzima fue purificada utilizando tres pasos cromatrográficos, sobre Sephadex G-75, CM-Sephadex C-50 y Agarosa-PAB, determinándose su peso molecular por PAGE-SDS. La identificación molecular de la enzima aislada se realizó por la técnica de peptide mass fingerprinting basada en espectrometría de masas MALDI-TOF y posterior análisis in silico. Las actividades fibrinocoagulante y amidolítica fueron ensayadas sobre fibrinó- geno bovino y BApNA, respectivamente, así como la hidrólisis sobre los sustratos cromogénicos específicos S-2238, S-2251 y S-2266. Como resultado de los ensayos bioquímicos y estructurales, la EST del veneno de B. atrox, presentó un peso molecular de 29,6 kDa. El análisis mediante espectrometría de masas de los péptidos obtenidos, permitió identificar a esta enzima como una venombina A, presentando una identidad del 75%. Del análisis de actividad enzimática, se obtuvo que la EST de B. atrox produjo coagulación del fibrinógeno bovino y presentó actividad sobre BApNA, S-2238 y S-2266, siendo incapaz de hidrolizar el sustrato S-2251. El empleo de estas aproximaciones estructurales y funcionales ha permitido lograr la identificación molecular del principal componente del veneno de B. atrox relacionado con su acción coagulante, así como evaluar en detalle la naturaleza de su actividad enzimática sobre diversos sustratos.

  5. Estructura molecular y cristalina del bis (bis(dietilamino glioximato níquel (II

    Directory of Open Access Journals (Sweden)

    Luis Alejandro Nuvan

    2009-07-01

    Full Text Available Ni(CioH2lN4022- monoclínico, grupo espacial P2i/a, a = 15.760 (2, b = 11.793 (3, c = 7.297 (1 A°, j3 = 99.10 (1°, V = 1339.0 (7 A°3, Z = 2 , De = 1.28 Mg M " \\ M = 765 M " ' . La estructura fue resuelta por el método del átomo pesado y afinada por mínimos cuadrados, utilizando la matriz completa, hasta obtener una concordancia R = 0.068 para todas las reflexiones observadas. El átomo de níquel está localizado en un centro de inversión y presenta una coordinación cuadrado planar. El complejo Bis (Bis (Dietilamino Glioximato Níquel (II es casi planar y el desplazamiento de los grupos etil con respecto al plano es producido por efectos estéricos. Las moléculas planares se apilan a lo largo de c, las normales a los planos forman con este eje un ángulo de 41.53 . Existen interacciones axiales entre el níquel y los grupos amino de las moléculas adyacentes de la columna.

  6. Single-walled carbon nanotube based molecular switch tunnel junctions.

    Science.gov (United States)

    Diehl, Michael R; Steuerman, David W; Tseng, Hsian-Rong; Vignon, Scott A; Star, Alexander; Celestre, Paul C; Stoddart, J Fraser; Heath, James R

    2003-12-15

    This article describes two-terminal molecular switch tunnel junctions (MSTJs) which incorporate a semiconducting, single-walled carbon nanotube (SWNT) as the bottom electrode. The nanotube interacts noncovalently with a monolayer of bistable, nondegenerate [2]catenane tetracations, self-organized by their supporting amphiphilic dimyristoylphosphatidyl anions which shield the mechanically switchable tetracations from a two-micrometer wide metallic top electrode. The resulting 0.002 micron 2 area tunnel junction addresses a nanometer wide row of approximately 2000 molecules. Active and remnant current-voltage measurements demonstrated that these devices can be reconfigurably switched and repeatedly cycled between high and low current states under ambient conditions. Control compounds, including a degenerate [2]catenane, were explored in support of the mechanical origin of the switching signature. These SWNT-based MSTJs operate like previously reported silicon-based MSTJs, but differently from similar devices incorporating bottom metal electrodes. The relevance of these results with respect to the choice of electrode materials for molecular electronics devices is discussed. PMID:14714382

  7. Single-molecular diodes based on opioid derivatives.

    Science.gov (United States)

    Siqueira, M R S; Corrêa, S M; Gester, R M; Del Nero, J; Neto, A M J C

    2015-12-01

    We propose an efficient single-molecule rectifier based on a derivative of opioid. Electron transport properties are investigated within the non-equilibrium Green's function formalism combined with density functional theory. The analysis of the current-voltage characteristics indicates obvious diode-like behavior. While heroin presents rectification coefficient R>1, indicating preferential electronic current from electron-donating to electron-withdrawing, 3 and 6-acetylmorphine and morphine exhibit contrary behavior, Rresonant-tunneling diodes. In particular, the rectification rations for heroin diodes show microampere electron current with a maximum of rectification (R=9.1) at very low bias voltage of ∼0.6 V and (R=14.3)∼1.8 V with resistance varying between 0.4 and 1.5 M Ω. Once most of the current single-molecule diodes usually rectifies in nanoampere, are not stable over 1.0 V and present electrical resistance around 10 M. Molecular devices based on opioid derivatives are promising in molecular electronics. PMID:26613894

  8. LA BIODIVERSIDAD DEL OLIVO (Olea europaea L.) EN COLOMBIA: ESTUDIO MOLECULAR, MORFOLÓGICO Y FENOLÓGICO DEL GERMOPLASMA LOCAL

    OpenAIRE

    García Molano, José Francisco

    2012-01-01

    RESUMEN Colombia no tiene tradición ni experiencia en la producción de olivos a pesar de que estos llegaron desde 1531, y se propagaron en diferentes lugares del país, especialmente en las región Andina, sobre los 2200 m.s.n.m., donde aún se encuentran arboles solitarios, especialmente en los monasterios, conventos y templos, también existen vestigios de cultivos en región del Alto Ricaurte. Las condiciones climáticas aparentemente similares de esta región con las del lugar de explotació...

  9. Componentes Principales (C.P. de los sistemas de calculo del IPC base 92 y sistema IPC base 2001

    Directory of Open Access Journals (Sweden)

    Julio Pallas González

    2002-01-01

    Full Text Available Nueve años después de que se adoptara un cambio de base en el cálculo del IPC para el Estado Español, asistimos a un cambio de sistema en el cálculo del mismo, naciendo el sistema de índices de precios, base 2001. A lo largo de este trabajo y utilizando el programa estadístico SPSS, se tratará de realizar un análisis multivariante, sobre las distintas variables que componen el IPC base 92, del estado español, y las del índice, atendiendo al nuevo sistema base 2001, que entró en vigor en enero de 2002. De todas las técnicas multivariantes susceptibles de ser aplicadas en este trabajo, se utilizaran el análisis de componentes principales y el análisis factorial, con el fin de obtener factores no observables que permitan explicar, perdiendo la mínima información, las variables originales que representan.

  10. Graphene-based nanomaterials as molecular imaging agents.

    Science.gov (United States)

    Garg, Bhaskar; Sung, Chu-Hsun; Ling, Yong-Chien

    2015-01-01

    Molecular imaging (MI) is a noninvasive, real-time visualization of biochemical events at the cellular and molecular level within tissues, living cells, and/or intact objects that can be advantageously applied in the areas of diagnostics, therapeutics, drug discovery, and development in understanding the nanoscale reactions including enzymatic conversions and protein-protein interactions. Consequently, over the years, great advancement has been made in the development of a variety of MI agents such as peptides, aptamers, antibodies, and various nanomaterials (NMs) including single-walled carbon nanotubes. Recently, graphene, a material popularized by Geim & Novoselov, has ignited considerable research efforts to rationally design and execute a wide range of graphene-based NMs making them an attractive platform for developing highly sensitive MI agents. Owing to their exceptional physicochemical and biological properties combined with desirable surface engineering, graphene-based NMs offer stable and tunable visible emission, small hydrodynamic size, low toxicity, and high biocompatibility and thus have been explored for in vitro and in vivo imaging applications as a promising alternative of traditional imaging agents. This review begins by describing the intrinsic properties of graphene and the key MI modalities. After which, we provide an overview on the recent advances in the design and development as well as physicochemical properties of the different classes of graphene-based NMs (graphene-dye conjugates, graphene-antibody conjugates, graphene-nanoparticle composites, and graphene quantum dots) being used as MI agents for potential applications including theranostics. Finally, the major challenges and future directions in the field will be discussed. PMID:25857851

  11. Preparation and Characterization of a Polymer-Based "Molecular Accordion".

    Science.gov (United States)

    Karoyo, Abdalla H; Wilson, Lee D

    2016-03-29

    A urethane-based polymer material, denoted HDI-1, was obtained from the addition reaction of β-cyclodextrin (β-CD) with 1,6-hexamethylene diisocyanate (HDI) at the 1:1 mole ratio. In aqueous solution and ambient temperature conditions, HDI-1 adopts a compact (coiled) morphology where the cross-linker units become coiled and are partially self-included in the annular hydroxyl (interstitial) region of β-CD. As the temperature is raised or as p-nitrophenol (PNP) was included within the β-CD cavity and the noninclusion sites of the polymer, an extended (uncoiled) morphology was adopted. The equilibrium distribution between the extended and the compact forms of HDI-1 is thermally and chemically switchable, in accordance with the hydration properties and host-guest chemistry of this responsive polymer system. The molecular structure of this water-soluble urethane polymer and its host-guest complexes with PNP were investigated using spectroscopic (Raman, (1)H NMR, induced circular dichroism), dynamic light scattering (DLS), and calorimetric (DSC) methods in aqueous solution at ambient pH, and compared with native β-CD. This study reports on the unique supramolecular properties of a polymer that resembles a thermally and chemically responsive "molecular accordion". PMID:26931298

  12. Molecular based subtyping of feline mammary carcinomas and clinicopathological characterization.

    Science.gov (United States)

    Soares, Maria; Madeira, Sara; Correia, Jorge; Peleteiro, Maria; Cardoso, Fátima; Ferreira, Fernando

    2016-06-01

    Molecular classification of feline mammary carcinomas (FMC) from which specific behavioral patterns may be estimated has potential applications in veterinary clinical practice and in comparative oncology. In this perspective, the main goal of this study was to characterize both the clinical and the pathological features of the different molecular phenotypes found in a population of FMC (n = 102), using the broadly accepted IHC-based classification established by St. Gallen International Expert Consensus panel. The luminal B/HER2-negative subtype was the most common (29.4%, 30/102) followed by luminal B/HER2-positive subtype (19.6%, 20/102), triple negative basal-like (16.7%, 17/102), luminal A (14.7%, 15/102), triple negative normal-like (12.7%, 13/102) and finally, HER2-positive subtype (6.9%, 7/102). Luminal A subtype was significantly associated with smaller tumors (p = 0.024) and with well differentiated ones (p feline mammary tumors and human breast cancer, reveal that feline can be a valuable model for comparative studies. PMID:27212699

  13. A molecularly based theory for electron transfer reorganization energy

    International Nuclear Information System (INIS)

    Using field-theoretic techniques, we develop a molecularly based dipolar self-consistent-field theory (DSCFT) for charge solvation in pure solvents under equilibrium and nonequilibrium conditions and apply it to the reorganization energy of electron transfer reactions. The DSCFT uses a set of molecular parameters, such as the solvent molecule’s permanent dipole moment and polarizability, thus avoiding approximations that are inherent in treating the solvent as a linear dielectric medium. A simple, analytical expression for the free energy is obtained in terms of the equilibrium and nonequilibrium electrostatic potential profiles and electric susceptibilities, which are obtained by solving a set of self-consistent equations. With no adjustable parameters, the DSCFT predicts activation energies and reorganization energies in good agreement with previous experiments and calculations for the electron transfer between metallic ions. Because the DSCFT is able to describe the properties of the solvent in the immediate vicinity of the charges, it is unnecessary to distinguish between the inner-sphere and outer-sphere solvent molecules in the calculation of the reorganization energy as in previous work. Furthermore, examining the nonequilibrium free energy surfaces of electron transfer, we find that the nonequilibrium free energy is well approximated by a double parabola for self-exchange reactions, but the curvature of the nonequilibrium free energy surface depends on the charges of the electron-transferring species, contrary to the prediction by the linear dielectric theory

  14. Fauna y flora del entorno de la base antártica peruana Machu Picchu (Antar V)

    OpenAIRE

    Elliott Rodriguez, Walter

    1995-01-01

    Presenta los resultados obtenidos de la observación del ecosistema terrestre y de las especies (peces, invertebrados, vertebrados y algas) de la zona mareal y submareal, faldas y cerros aledaños a la base peruana en la Antártida. Las muestras fueron preservadas en frascos y bolsas plásticas con formol al 10% dentro del período del 27 de enero al 16 de febrero de 1994.

  15. Bases moleculares de alfa-talasemia en la Argentina

    Directory of Open Access Journals (Sweden)

    Karen G Scheps

    2015-04-01

    Full Text Available La α-talasemia, es uno de los desórdenes hereditarios más frecuentes mundialmente. Al presente, el diagnóstico molecular es la única herramienta que permite el diagnóstico certero. El propósito de este trabajo fue caracterizar las bases moleculares de estos síndromes en nuestro medio, y establecer relaciones genotipo-fenotipo. Mediante la complementación de distintas técnicas de biología molecular e hibridación fluorescente in situ (FISH, se logró poner en evidencia la presencia de mutaciones α-talasémicas en 145 de 184 (78.8% pacientes estudiados con perfil hematológico compatible con α-talasemia. Dentro de este grupo, las deleciones correspondieron al defecto genético más frecuente, prevaleciendo la mutación -α3.7 en genotipos heterocigotas y homocigotas. Asimismo, en pacientes con fenotipo α0 las deleciones prevalentes fueron -MED y -CAL/CAMP. Este estudio permitió también describir una deleción de la región sub-telomérica en un paciente con α-talasemia y retraso mental. En el 7.6% de los pacientes caracterizados clínicamente como posibles α-talasémicos (microcitosis con valores de Hb A2 inferiores al 3.5%, se hallaron mutaciones β-talasémicas en estado heterocigota. Se lograron establecer perfiles hematológicos asociados a los genotipos α+ y α0 para pacientes adultos y niños. Esperamos que este trabajo pueda servir como guía para reconocer posibles portadores α-talasémicos. También permite destacar el trabajo en conjunto de médicos hematólogos, el laboratorio (bioquímico y de biología molecular y de los médicos genetistas, con el fin de proporcionar adecuado consejo genético.

  16. Clinical and laboratory update on the DEL variant.

    Science.gov (United States)

    Nuchnoi, Pornlada; Thongbus, Jairak; Srisarin, Apapan; Kerdpin, Usanee; Prachayasittikul, Virapong

    2014-01-01

    Serological assays for the RhD blood group are based on detection of the RhD antigen on human red blood cells using a specific anti-D antibody. The weak expression of the RhD antigen in the DEL variant hinders the sensitivity of conventional serological assays. Evidence of anti-D immunization in patients with D-negativity who have received DEL-variant blood units has been reported in various populations. This observation has prompted the need for genetic epidemiological and clinical data on the DEL variant in the development of DEL molecular diagnostic testing. This review highlights the molecular features of the DEL variant, the clinical consequences of DEL-blood transfusion, and current approaches for detection of the DEL-variant for donor screening and transfusion. PMID:25316658

  17. Molecular bases of circadian rhythmicity in renal physiology and pathology.

    Science.gov (United States)

    Bonny, Olivier; Vinciguerra, Manlio; Gumz, Michelle L; Mazzoccoli, Gianluigi

    2013-10-01

    The physiological processes that maintain body homeostasis oscillate during the day. Diurnal changes characterize kidney functions, comprising regulation of hydro-electrolytic and acid-base balance, reabsorption of small solutes and hormone production. Renal physiology is characterized by 24-h periodicity and contributes to circadian variability of blood pressure levels, related as well to nychthemeral changes of sodium sensitivity, physical activity, vascular tone, autonomic function and neurotransmitter release from sympathetic innervations. The circadian rhythmicity of body physiology is driven by central and peripheral biological clockworks and entrained by the geophysical light/dark cycle. Chronodisruption, defined as the mismatch between environmental-social cues and physiological-behavioral patterns, causes internal desynchronization of periodic functions, leading to pathophysiological mechanisms underlying degenerative, immune related, metabolic and neoplastic diseases. In this review we will address the genetic, molecular and anatomical elements that hardwire circadian rhythmicity in renal physiology and subtend disarray of time-dependent changes in renal pathology. PMID:23901050

  18. DNA Aptamer Based Nanodrugs: Molecular Engineering for Efficiency.

    Science.gov (United States)

    Cansiz, Sena; Zhang, Liqin; Wu, Cuichen; Wu, Yuan; Teng, I-Ting; Hou, Weijia; Wang, Yanyue; Wan, Shuo; Cai, Ren; Jin, Chen; Liu, Qiaoling; Tan, Weihong

    2015-10-01

    In the past two decades, the study of cancer therapy has gradually advanced to the "nano" era. Numerous novel nanomaterials armed with unique physical properties have been introduced into biomedical research. At the same time, functional nucleic acid molecules, especially aptamers, have aroused broad attention from the biomedical community. Benefiting from the advancement of molecular engineering strategies, it is now feasible to combine the cancer-specific recognition capability of aptamers with various other special functions of nanomaterials to develop cancer-specific drugs at the nanoscale. Nanodrugs are now offering an unprecedented opportunity to achieve the goal of efficient targeted delivery as well as controlled release. This review highlights some achievements made in multiple aptamer-based nanodrug systems that have emerged in recent years, including studies in the infant stage of "proof-of-concept". PMID:26177853

  19. Hydrophobic composition based on mixed-molecular weight polyethylene

    Science.gov (United States)

    Gorlenko, Nikolay; Debelova, Natalya; Sarkisov, Yuriy; Volokitin, Gennadiy; Zavyalova, Elena; Lapova, Tatyana

    2016-01-01

    The paper presents investigations of compositions based on low and high molecular weight polyethylene so as to synthesize a hydrophobic composition for moisture protection of timber. X-ray phase analysis and measurements of the tear-off force of hydrophobic coating needed to apply to the timber surface and the limiting wetting angle are carried out to detect the hydrophobic, adhesive, electrophysical, and physicochemical properties of compositions. Kinetic dependencies are given for moisture absorption of timber specimens. It is shown that the preliminary formation of the texture by the surface patterning or its treatment with low-temperature plasma with the following protective coating results in the improvement of hydrophobic properties of the suggested compositions. These compositions can be used in the capacity of water repellents to protect building materials from moisture including restoration works.

  20. Current Progress of Aptamer-Based Molecular Imaging

    OpenAIRE

    Wang, Andrew Z.; Farokhzad, Omid C.

    2014-01-01

    Aptamers, single-stranded oligonucleotides, are an important class of molecular targeting ligand. Since their discovery, aptamers have been rapidly translated into clinical practice. They have been approved as therapeutics and molecular diagnostics. Aptamers also possess several properties that make them uniquely suited to molecular imaging. This review aims to provide an overview of aptamers’ advantages as targeting ligands and their application in molecular imaging.

  1. BASES PARA LA ZONIFICACIÓN AGROECOLÓGICA EN EL CULTIVO DEL CACAO (Theobroma cacao, Lin POR MEDIO DEL CRITERIO DE EXPERTOS

    Directory of Open Access Journals (Sweden)

    Giclis M. Suárez

    2013-01-01

    Full Text Available El objetivo del presente trabajo fue establecer las bases para la zonificación agroecológica del cacao (Theobroma cacao, Lin por medio del criterio de expertos mediante el método Delphi. Se seleccionaron expertos de diferentes esferas y se determinó el nivel de experticia y el nivel de competencia de cada experto respecto a la problemática relacionada con la definición de los factores que definen la ubicación del cultivo. Para ello se elaboró y aplicó un sistema de rondas de preguntas o cuestionarios que surgieron del procesamiento estadístico sucesivo de cada ronda, donde se determinaron los parámetros: media aritmética de la evaluación de los expertos a cada pregunta, desviación estándar y varianza (dispersión de las evaluaciones de cada pregunta. A partir de estos estadígrafos se determinó el coeficiente de variación (nivel de concordancia, que unido con el nivel de relevancia, constituyeron los elementos discriminantes que permitieron proponer las variables en los cuestionarios subsiguientes. Los resultados permitieron determinar siete expertos para la consulta de las rondas de preguntas, con un nivel de competencia medio y alto, además de valoraciones promedio del coeficiente de competencia (K igual a 0,89. Se determinó que los factores genéticos, socioeconómicos y los fisiográficos no guardan relación con la definición del lugar para el desarrollo del cultivo; sin embargo, los factores climáticos (precipitaciones y temperatura y los edáficos (tipos y profundidad del suelo fueron los de mayor influencia para definir la ubicación del cacao, y constituyeron los principales elementos de las bases para la zonificación agroecológica del cultivo.

  2. Molecular Beacon-Based MicroRNA Imaging During Neurogenesis.

    Science.gov (United States)

    Lee, Jonghwan; Kim, Soonhag

    2016-01-01

    The fluorescence monitoring system for examining endogenous microRNA (miRNA) activity in cellular level provides crucial information on not only understanding a critical role of miRNA involving a variety of biological processes, but also evaluating miRNA expression patterns in a noninvasive manner. In this protocol, we report the details of a new procedure for a molecular beacon-based miRNA monitoring system, which includes the illustration scheme for miRNA detection strategy, exogenous miRNA detection, and measurement of endogenous miRNA expression level during neurogenesis. The fluorescence signal of miR-124a beacon quenched by BHQ2 was gradually recovered as increasing concentration of the miR-124a in tube. The functional work of miR-124a beacon was examined in intracellular environment, allowing for the internalization of the miR-124a beacon by lipofectamine, which resulted in activated fluorescent signals of the miR-124a beacon in the HeLa cells after the addition of synthetic miR-124a. The endogenous miR-124a expression level was detected by miR-124a beacon system during neurogenesis, showing brighter fluorescence intensity in cytoplasmic area of P19 cells after induction of neuronal differentiation by retinoic acid. The molecular beacon based-miRNA detection technique could be applicable to the simultaneous visualization of a variety of miRNA expression patterns using different fluorescence dyes. For the study of examining endogenous miRNA expression level using miRNA-beacon system, if cellular differentiation step is already prepared, transfection step of miR-124a beacon into P19 cells, and acquisition of activated fluorescence signal measured by confocal microscope can be conducted approximately within 6 h. PMID:26530921

  3. Dissecting plasmodesmata molecular composition by mass spectrometry-based proteomics.

    Directory of Open Access Journals (Sweden)

    Emmanuelle Maria Françoise Bayer

    2013-01-01

    Full Text Available In plants, the intercellular communication through the membranous channels called plasmodesmata (PD; singular plasmodesma plays pivotal roles in the orchestration of development, defence responses and viral propagation. PD are dynamic structures embedded in the plant cell wall that are defined by specialised domains of the endoplasmic reticulum and the plasma membrane. PD structure and unique functions are guaranteed by their particular molecular composition. Yet, up to recent years and despite numerous approaches such as mutant screens, immunolocalisation or screening of random cDNAs, only few PD proteins had been conclusively identified and characterised. A clear breakthrough in the search of PD constituents came from mass-spectrometry-based proteomic approaches coupled with subcellular fractionation strategies. Due to their position, firmly anchored in the extracellular matrix, PD are notoriously difficult to isolate for biochemical analysis. Proteomic-based approaches have therefore first relied on the use of cell wall fractions containing embedded PD then on free PD fractions whereby PD membranes were released from the walls by enzymatic degradation. To discriminate between likely contaminants and PD protein candidates, bioinformatics tools have often been used in combination with proteomic approaches. GFP fusion proteins of selected candidates have confirmed the PD association of several protein families. Here we review the accomplishments and limitations of the proteomic based strategies to unravel the functional and structural complexity of PD. We also discuss the role of the identified PD associated proteins.

  4. Mecanismos moleculares de resistencia a las enfermedades vesiculares virales del ganado criollo colombiano blanco orejinegro (BON

    Directory of Open Access Journals (Sweden)

    Jorge Eliécer Ossa Londoño

    2001-04-01

    . El IFN activa tres rutas antivirales: 2-5 oligoadenilatosintetasa (2-5A, Proteina-kinasa dependiente de dsRNA (PKR y proteína Mx; las dos primeras inducen apoptosis (1,2. Hemos demostrado, in vitro, que en bovinos BON existe polimorfismo fenotípico en resistencia/susceptibilidad al VFA y al VEV. También se demostró asociación entre producción de IFN y resistencia in vitro al VFA (3, y polimorfismo en la expresión celular de integrina αV3, que es uno de los receptores utilizados por este virus. Este estudio pretende determinar el(los mecanismo(s molecular(es responsables de la resistencia/susceptibilidad, in vitro, al VFA y al VEV con énfasis en IFN, apoptosis y receptores celulares

  5. Colorimetric biomimetic sensor systems based on molecularly imprinted polymer membranes for highly-selective detection of phenol in environmental samples

    Directory of Open Access Journals (Sweden)

    Sergeyeva T. A.

    2014-05-01

    Full Text Available Aim. Development of an easy-to-use colorimetric sensor system for fast and accurate detection of phenol in envi- ronmental samples. Methods. Technique of molecular imprinting, method of in situ polymerization of molecularly imprinted polymer membranes. Results. The proposed sensor is based on free-standing molecularly imprinted polymer (MIP membranes, synthesized by in situ polymerization, and having in their structure artificial binding sites capable of selective phenol recognition. The quantitative detection of phenol, selectively adsorbed by the MIP membranes, is based on its reaction with 4-aminoantipyrine, which gives a pink-colored product. The intensity of staining of the MIP membrane is proportional to phenol concentration in the analyzed sample. Phenol can be detected within the range 50 nM–10 mM with limit of detection 50 nM, which corresponds to the concentrations that have to be detected in natural and waste waters in accordance with environmental protection standards. Stability of the MIP-membrane-based sensors was assessed during 12 months storage at room temperature. Conclusions. The sensor system provides highly-selective and sensitive detection of phenol in both mo- del and real (drinking, natural, and waste water samples. As compared to traditional methods of phenol detection, the proposed system is characterized by simplicity of operation and can be used in non-laboratory conditions.

  6. POLYANA-A tool for the calculation of molecular radial distribution functions based on Molecular Dynamics trajectories

    Science.gov (United States)

    Dimitroulis, Christos; Raptis, Theophanes; Raptis, Vasilios

    2015-12-01

    We present an application for the calculation of radial distribution functions for molecular centres of mass, based on trajectories generated by molecular simulation methods (Molecular Dynamics, Monte Carlo). When designing this application, the emphasis was placed on ease of use as well as ease of further development. In its current version, the program can read trajectories generated by the well-known DL_POLY package, but it can be easily extended to handle other formats. It is also very easy to 'hack' the program so it can compute intermolecular radial distribution functions for groups of interaction sites rather than whole molecules.

  7. BASES MOLECULARES DA ABSORÇÃO DO FERRO

    Directory of Open Access Journals (Sweden)

    A. A. MACHADO

    2009-03-01

    Full Text Available

    O ferro é um elemento essencial a todos os organismos vivos e alterações em sua homeostase resultam em quadro de deficiência ou acúmulo, ambos com alta prevalência e relevância clínica. A última década foi marcada pela geração de conhecimentos importantes, que estão contribuindo para a elucidação dos mecanismos moleculares da homeostase do ferro. Foram identificadas proteínas, envolvidas na absorção intestinal do ferro não-heme, e progressos significativos foram feitos no entendimento da regulação da absorção intestinal do ferro, sendo identificadas várias moléculas candidatas. As bases moleculares da homeostase do ferro ainda não foram totalmente elucidadas, porém as informações já existentes sugerem que, em condições fisiológicas, a absorção, o transporte e o armazenamento sejam feitos por moléculas altamente especializadas e, em especial, a absorção, com mecanismos saturáveis em baixa concentração. No entanto, a absorção pode ocorrer por vias menos sujeitas ao controle, dependendo da sobrecarga e da natureza química do composto utilizado. Estas informações advogam a favor de uma revisão nas estratégias de combate à anemia ferropriva. PALAVRAS-CHAVE: Absorção do ferro; DMT-1; hepahestina; ceruloplasmina; ferroportina; hepcidina.

  8. Molecular biology-based diagnosis and therapy for pancreatic cancer

    International Nuclear Information System (INIS)

    Mainly described are author's investigations of the title subject through clinical and basic diagnosis/therapeutic approach. Based on their consideration of carcinogenesis and pathological features of pancreatic cancer (PC), analysis of expression of cancer-related genes in clinically available samples like pancreatic juice and cells biopsied can result in attaining their purposes. Desmoplasia, a pathological feature of PC, possibly induces resistance to therapy and one of strategies is probably its suppression. Targeting stem cells of the mesenchyma as well as those of PC is also a strategy in future. Authors' studies have revealed that quantitation of hTERT (coding teromerase) mRNA levels in PC cells micro-dissected from cytological specimens is an accurate molecular biological diagnostic method applicable clinically. Other cancer-related genes are also useful for the diagnosis and mucin (MUC) family genes are shown to be typical ones for differentiating the precancerous PC, PC and chronic pancreatisis. Efficacy of standard gemcitabine chemotherapy can be individualized with molecular markers concerned to metabolism of the drug like dCK. Radiotherapy/radio-chemotherapy are not so satisfactory for PC treatment now. Authors have found elevated MMP-2 expression and HGF/c-Met signal activation in irradiated PC cells, which can increase the invasive capability; and stimulation of phosphorylation and activation of c-Met/MARK in co-culture of irradiated PC cells with messenchymal cells from PC, which possibly leads to progression of malignancy of PC through their interaction, of which suppression, therefore, can be a new approach to increase the efficacy of radiotherapy. Authors are making effort to introducing adenovirus therapy in clinic; exempli gratia (e.g.), the virus carrying wild type p53, a cancer-suppressive gene, induces apoptosis of PC cells often having its mutated gene. (T.T.)

  9. Base developable negative tone molecular resist based on epoxide cross-linking

    Science.gov (United States)

    Sharp, Brandon; Lawson, Richard A.; Fralick, Ashten; Narcross, Hannah; Chun, Jun Sung; Neisser, Mark; Tolbert, Laren M.; Henderson, Clifford L.

    2015-03-01

    A negative tone, aqueous base developable molecular glass resist, 3Ep, is presented that is developable in both standard organic solvents and aqueous base developers. The resist shows slightly better imaging performance in organic solvent versus aqueous base and shows a shift of E0 away from zero dose. Compared to a previously reported 4Ep resist, 3Ep appears to have a more controlled polymerization rate at equivalent conditions, which results in higher-quality patterned features. 3Ep also requires use of an underlayer to avoid de-wetting during aqueous base development.

  10. Magnetic and electronic properties of porphyrin-based molecular nanowires

    Directory of Open Access Journals (Sweden)

    Jia-Jia Zheng

    2016-01-01

    Full Text Available Using spin-polarized density functional theory calculations, we performed theoretical investigations on the electronic and magnetic properties of transition metal embedded porphyrin-based nanowires (TM-PNWs, TM = Cr, Mn, Co, Ni, Cu, and Zn. Our results indicate that Ni-PNW and Zn-PNW are nonmagnetic while the rest species are magnetic, and the magnetic moments in TM-PNWs and their corresponding isolated monomer structures are found to be the same. In addition, the spin coupling in the magnetic nanowires can be ignored leading to their degenerate AFM and FM states. These results can be ascribed to the weak intermetallic interactions because of the relatively large distances between neighbor TM atoms. Among all TM-PNW structures considered here, only Mn-PNW shows a half-metallic property while the others are predicted to be semiconducting. The present work paves a new way of obtaining ferromagnetic porphyrin-based nanowires with TM atoms distributed separately and orderly, which are expected to be good candidates for catalysts, energy storage and molecular spintronics.

  11. Molecularly Imprinted Polypyrrole Based Impedimentric Sensor for Theophylline Determination

    International Nuclear Information System (INIS)

    Highlights: • Sensor based on polypyrrole imprinted by theophylline (MIP) deposited on oxygen terminated boron-doped nanocrystalline diamond was developed. • This structure was applied as impedimetric sensor sensitive for theophylline. • Optimal polymer formation conditions suitable for MIP formation were elaborated. • Some analytical parameters were determined and evaluated. - Abstract: In this study development of impedimetric sensor based on oxygen terminated boron-doped nanocrystalline diamond (B:NCD:O) modified with theophylline imprinted polypyrrole is described. Hydrogen peroxide induced chemical formation of polypyrrole molecularly imprinted by theophylline was applied for the modification of conducting silicon substrate covered by B:NCD:O film. Non-imprinted polypyrrole layer was formed on similar substrate in order to prove efficiency of imprinted polypyrrole. Electrochemical impedance spectroscopy was applied for the evaluation of analyte-induced changes in electrochemical capacitance/resistance. The impact of polymerization duration on the capacitance of impedimetric sensor was estimated. A different impedance behavior was observed at different ratio of polymerized monomer and template molecule in the polymerization media. The influence of ethanol as additive to polymerization media on registered changes in capacitance/resistance was evaluated. Degradation of sensor stored in buffer solution was evaluated

  12. Pathological Bases for a Robust Application of Cancer Molecular Classification

    Directory of Open Access Journals (Sweden)

    Salvador J. Diaz-Cano

    2015-04-01

    Full Text Available Any robust classification system depends on its purpose and must refer to accepted standards, its strength relying on predictive values and a careful consideration of known factors that can affect its reliability. In this context, a molecular classification of human cancer must refer to the current gold standard (histological classification and try to improve it with key prognosticators for metastatic potential, staging and grading. Although organ-specific examples have been published based on proteomics, transcriptomics and genomics evaluations, the most popular approach uses gene expression analysis as a direct correlate of cellular differentiation, which represents the key feature of the histological classification. RNA is a labile molecule that varies significantly according with the preservation protocol, its transcription reflect the adaptation of the tumor cells to the microenvironment, it can be passed through mechanisms of intercellular transference of genetic information (exosomes, and it is exposed to epigenetic modifications. More robust classifications should be based on stable molecules, at the genetic level represented by DNA to improve reliability, and its analysis must deal with the concept of intratumoral heterogeneity, which is at the origin of tumor progression and is the byproduct of the selection process during the clonal expansion and progression of neoplasms. The simultaneous analysis of multiple DNA targets and next generation sequencing offer the best practical approach for an analytical genomic classification of tumors.

  13. Magnetic and electronic properties of porphyrin-based molecular nanowires

    International Nuclear Information System (INIS)

    Using spin-polarized density functional theory calculations, we performed theoretical investigations on the electronic and magnetic properties of transition metal embedded porphyrin-based nanowires (TM-PNWs, TM = Cr, Mn, Co, Ni, Cu, and Zn). Our results indicate that Ni-PNW and Zn-PNW are nonmagnetic while the rest species are magnetic, and the magnetic moments in TM-PNWs and their corresponding isolated monomer structures are found to be the same. In addition, the spin coupling in the magnetic nanowires can be ignored leading to their degenerate AFM and FM states. These results can be ascribed to the weak intermetallic interactions because of the relatively large distances between neighbor TM atoms. Among all TM-PNW structures considered here, only Mn-PNW shows a half-metallic property while the others are predicted to be semiconducting. The present work paves a new way of obtaining ferromagnetic porphyrin-based nanowires with TM atoms distributed separately and orderly, which are expected to be good candidates for catalysts, energy storage and molecular spintronics

  14. Magnetic and electronic properties of porphyrin-based molecular nanowires

    Energy Technology Data Exchange (ETDEWEB)

    Zheng, Jia-Jia; Li, Qiao-Zhi; Dang, Jing-Shuang; Zhao, Xiang, E-mail: xzhao@mail.xjtu.edu.cn [Institute for Chemical Physics & Department of Chemistry, MOE Key Laboratory for Non-equilibrium Condensed Matter and Quantum Engineering, School of Science, Xi’an Jiaotong University, Xi’an 710049 (China); Wang, Wei-Wei [Research Center for Computational Science, Institute for Molecular Science, Okazaki, Aichi 444-8585 (Japan)

    2016-01-15

    Using spin-polarized density functional theory calculations, we performed theoretical investigations on the electronic and magnetic properties of transition metal embedded porphyrin-based nanowires (TM-PNWs, TM = Cr, Mn, Co, Ni, Cu, and Zn). Our results indicate that Ni-PNW and Zn-PNW are nonmagnetic while the rest species are magnetic, and the magnetic moments in TM-PNWs and their corresponding isolated monomer structures are found to be the same. In addition, the spin coupling in the magnetic nanowires can be ignored leading to their degenerate AFM and FM states. These results can be ascribed to the weak intermetallic interactions because of the relatively large distances between neighbor TM atoms. Among all TM-PNW structures considered here, only Mn-PNW shows a half-metallic property while the others are predicted to be semiconducting. The present work paves a new way of obtaining ferromagnetic porphyrin-based nanowires with TM atoms distributed separately and orderly, which are expected to be good candidates for catalysts, energy storage and molecular spintronics.

  15. Molecular dosimetry based on radiation induced degradation of polyisobutylene

    International Nuclear Information System (INIS)

    This project investigates the possibility of qualitative measurement of radiation doses through detection of changes in the average molecular weight in the polymer Polyisobutylene (PIB). Changes in molecular weight and molecular weight distribution is detected by Gel Permeation Chromatography (GPC). The aim of the project is to decide whether or not it is possible to determine a quality difference between α-radiation (241Am, 5,5 MeV) and γ-radiation (60Co, 1,25 MeV) in the dose range 0,5 to 10 kGy by irradiation of PIB. Irradiation with 60Co changes the average number molecular weight Mn by 12% per kGy and the average weight molecular weight Mw by 23% per kGy. The presence of antioxidant in the irradiated sample inhibits a change in average molecular weight by 5% and 16% for Mn and Mw respectively. (au)

  16. Postiive tone resists based on network deploymerization of molecular resists

    Science.gov (United States)

    Lawson, Richard A.; Cheng, Jing; Cheshmehkani, Ameneh; Tolbert, Laren M.; Henderson, Clifford L.

    2013-03-01

    Conventional chemically amplified resists have several issues that can potentially limit their capability for sub-40 nm imaging. One of the major issues at this size scale is that the mechanical strength of positive tone CARs limits the amount of stress they can withstand during development, rinse, and drying, thus leading to problems with pattern collapse due to the high capillary forces generated during drying. This problem is exasperated by the fact that linear polymers show dramatically reduced modulus at sub-50 nm features sizes. To improve on this problem, we have made a positive tone resist based on network depolymerization of molecular resists. The resist thermally cross-links after being spin cast into thin film form through reactions between vinyl ether groups and carboxylic acid groups. By cross-linking the resist to form a dense three dimensional polymer network, the mechanical strength of the resist is greatly improved compared to linear polymers. The network is depolymerized using an acid catalyzed reaction to create development contrast that allows for patterning of the resist via development in either aqueous base or organic solvent. One drawback of the current resist design is that the free carboxylic acids on the resist molecule appear to react in solution at room temperature with both the vinyl ether groups on adjacent molecules and with any added base quencher. These reactions cause reduced effectiveness of the base quencher and produce a noticeable resist shelf life problem. Despite these limitations, the material was used to compare the effect of development in aqueous base versus organic solvent. The resist formulated in this work showed a DUV sensitivity of 7 mJ/cm2 and a contrast of 5.2 for development in either solvent or aqueous base. Under 100 keV e-beam imaging, the material showed 40 nm resolution for both development types. In standard 0.26 N TMAH, the dose-to-size was 84 μC/cm2 with 3σ LER of 14.2 nm. Using methyl isobutyl ketone

  17. Acerca del hormigón de la Base de Rota

    Directory of Open Access Journals (Sweden)

    López Ruiz, Álvaro

    1963-09-01

    Full Text Available Not availableCon reconocimiento a las entidades Thompson & Lichtner Co. Inc., Brown-Raymond-Walsh y O. I. C. C, supervisares del Laboratorio de ensayo y proyecto de materiales de construcción de la Base de Rota, en el cual el autor trabajó como "Senior testing engineer", por las facilidades dadas para la realización de este trabajo.

  18. Optically switchable molecular device using microsphere based junctions

    Science.gov (United States)

    Faramarzi, V.; Raimondo, C.; Reinders, F.; Mayor, M.; Samorı, P.; Doudin, B.

    2011-12-01

    Metallic planar electrodes are bridged using microspheres coated with chemisorbed azobenzene self-assembled monolayers. The circuit exhibits light-induced switching, with reproducibility over 90%, as statistically determined and compared to junctions incorporating photo-insensitive alkanethiol layers. Microsphere interconnects provide direct access to molecular transport properties, with reliability and stability, making multifunctional molecular electronics devices possible.

  19. Melamine acoustic chemosensor based on molecularly imprinted polymer film.

    Science.gov (United States)

    Pietrzyk, Agnieszka; Kutner, Wlodzimierz; Chitta, Raghu; Zandler, Melvin E; D'Souza, Francis; Sannicolò, Francesco; Mussini, Patrizia R

    2009-12-15

    A melamine piezomicrogravimetric (acoustic) chemosensor using a molecularly imprinted polymer (MIP) film has been devised and tested. The MIP films were prepared by electropolymerization of the melamine complexed by the functional monomer of the bis(bithiophene) derivative bearing an 18-crown-6 substituent 4. The structure of the MIP-melamine complex was visualized by the DFT B3LYP/3-21G(*) energy optimization calculations. The sensitivity and selectivity of the MIP film was improved by cross-linking the polymer with the bithianaphthene monomer 5 and the presence of the porogenic ionic liquid in the prepolymerization solution. After electropolymerization, the melamine template was extracted from the MIP film with an aqueous strong base solution. The measurements of UV-vis spectroscopy, X-ray photoelectron spectroscopy (XPS), DPV, and EIS as well as scanning electrochemical microscopy (SECM) imaging confirmed extraction of the melamine template from the MIP film and then rebinding of the melamine analyte while the film relative roughness and porosity was determined by atomic force microscopy (AFM) and scanning electron microscopy (SEM) imaging, respectively. The analytical as well as kinetic and thermodynamic parameters of the chemosensing were assessed under flow-injection analysis (FIA) conditions with piezoelectric microgravimetry (PM) detection. The linear concentration range for melamine detection was 5 nM to at least 1 mM with a limit of detection of approximately 5 nM. The chemosensor successfully discriminated the cyanuric acid, cyromazine, and ammeline interfering agents. PMID:19925007

  20. Molecular dynamics study of surfactant-like peptide based nanostructures.

    Science.gov (United States)

    Colherinhas, Guilherme; Fileti, Eudes

    2014-10-23

    Surfactant-like peptide (SLP) based nanostructures are investigated using all-atomistic molecular dynamics (MD) simulations. We report structure properties of nanostructures belonging to the ANK peptide group. In particular, the mathematical models for the two A3K membranes, A6K nanotube, and A9K nanorod were developed. Our MD simulation results are consistent with the experimental data, indicating that A3K membranes are stable in two different configurations: (1) SLPs are tilted relative to the normal membrane plane; (2) SLPs are interdigitated. The former configuration is energetically more stable. The cylindrical nanostructures feature a certain order of the A6K peptides. In turn, the A9K nanorod does not exhibit any long-range ordering. Both nanotube and nanorod structure contain large amounts of water inside. Consequently, these nanostructures behave similar to hydrogels. This property may be important in the context of biotechnology. Binding energy analysis-in terms of Coulomb and van der Waals contributions-unveils an increase as the peptide size increases. The electrostatic interaction constitutes 70-75% of the noncovalent attraction energy between SLPs. The nanotubular structures are notably stable, confirming that A6K peptides preferentially form nanotubes and A9K peptides preferentially form nanorods. PMID:25264942

  1. MEJORAMIENTO DE PROCESOS CLAVE A TRAVÉS DEL ANÁLISIS DEL VALOR AÑADIDO EN EMPRESAS DE BASE TECNOLÓGICA DE PRODUCCIONES POR PROYECTO DEL SECTOR HIDRÁULICO EN CUBA

    Directory of Open Access Journals (Sweden)

    Reina Maylín, Hernández Oro

    2012-06-01

    Full Text Available En este artículo se muestran los principales resultados de una investigación orientada al mejoramiento de procesos empresariales clave, aplicando un procedimiento diseñado a tal efecto y donde se incluye entre sus etapas principales, el análisis del valor añadido por actividad, adaptándolo a empresas de base tecnológica de producciones por proyecto único (o singular del sector hidráulico cubano. En el procedimiento se combinan de forma coherente diferentes técnicas, tales como el Análisis Decisional Multicriterio para la selección de los procesos clave y el Análisis del Valor Añadido por actividad para determinar los procesos clave a mejorar e identificar las oportunidades de mejora. Como principales resultados se logró identificar, clasificar y relacionar los procesos que se desarrollan en la organización y representarlos en un mapa de procesos, para luego determinar los procesos clave para la mejora, sobre la base del análisis del valor añadido a cada proceso de cada una de las actividades que lo integran. Derivado de los resultados obtenidos, se propuso e implementó un grupo de mejoras organizativas que tuvieron un impacto económico positivo para la empresa objeto de estudio, lo que permitió concluir favorablemente sobre la factibilidad de aplicación, flexibilidad y robustez del procedimiento desarrollado en las empresas de base tecnológica de producciones por proyecto único del sector hidráulico en Cuba para apoyar su gestión empresarial.

  2. Bases moleculares de la activacion plaquetaria en el perro

    OpenAIRE

    Fragio Arnold, Cristina

    1991-01-01

    Se ha estudiado la participacion del metabolismo de polifosfoinositidos y de los segundos mensajeros derivados de este ultimo en la secrecion de serotonina inducida por agonistas fisiologicos y afisiologicos en plaquetas caninas. Asimismo, se ha abordado el estudio de las vias de liberacion de acido araquidonico, asi como la implicacion de este acido graso y de sus metabolitos en la secrecion plaquetaria. Tambie se ha investigado la existencia de proteinas-G-reguladoras en plaquetas caninas y...

  3. Gestión del tiempo en sistemas data warehouse sobre bases de datos relacionales

    OpenAIRE

    González Macho, Laura

    2009-01-01

    A continuación se describe brevemente la organización de este documento con el contenido de cada uno de sus capítulos: El Capítulo 2 describe la situación actual de la gestión temporal, combinando la visión práctica utilizada en los Data Warehouse y la visión teórica de las bases de datos temporales. El Capítulo 3 define como objetivo de este trabajo la definición de un modelo de gestión del tiempo con unas características determinadas. En el Capítulo 4 se presenta la definición del modelo bi...

  4. Energetic management at the Hotel Nido del Halcon, Uvita Puntarenas, based on the ISO standard 50001

    International Nuclear Information System (INIS)

    An energetic management system is designed at the Hotel Nido del Halcon located in Uvita Pacifico Sur of Costa Rica, based on the ISO standard 50001. The electric power consumption of the hotel is studied by an energy audit. The energy audit and consumption history supplied by the Instituto Costarricense de Electricidad (ICE) have determined as critical areas of energy consumption: the refrigeration room, the restaurant, the principal rooms, laundry and pumping systems of the hotel. Mechanical systems more efficient are designed to substitute equipments of higher consumption in daily operation of the Hotel Nido del Halcon. Renewable energy sources are investigated to be taken advantage at the hotel, with the objective of a possible integration into the Plan de Generacion Distribuida of the ICE. An economic analysis of the proposals is performed to optimize the use of energy, as well as relevant and economically feasible recommendations to be implemented immediately

  5. Desarrollo de métodos de propagador para el estudio de procesos de ionización molecular empleando la metodología del orbital nuclear molecular y su implementación en el paquete computacional LOWDIN

    OpenAIRE

    Romero Fontalvo, Jhonathan

    2013-01-01

    En este trabajo se propone la teoría de propagadores empleando el método del orbital nuclear molecular para cualquier tipo de partícula (APMO/PT). Esta metodología es una extensión de la teoría del propagador electrónico para estudiar sistemas con más de un tipo de especie cuántica, desarrollada e implementada en su versión diagonal en el programa de química cuántica LOWDIN. La metodología fue aplicada para estudiar efectos cuánticos nucleares en potenciales de ionización electrónicos y energ...

  6. Molecular Split-Ring Resonators Based on Metal String Complexes

    CERN Document Server

    Shen, Yao; Ai, Qing; Peng, Shie-Ming; Jin, Bih-Yaw

    2014-01-01

    Metal string complexes or extended metal atom chains (EMACs) belong to a family of molecules that consist of a linear chain of directly bonded metal atoms embraced helically by four multidentate organic ligands. These four organic ligands are usually made up of repeating pyridyl units, single-nitrogen-substituted heterocyclic annulenes, bridged by independent amido groups. Here, in this paper, we show that these heterocyclic annulenes are actually nanoscale molecular split-ring resonators (SRRs) that can exhibit simultaneous negative electric permittivity and magnetic permeability in the UV-Vis region. Moreover, a monolayer of self-assembled EMACs is a periodic array of molecular SRRs which can be considered as a negative refractive index material. In the molecular scale, where the quantum-size effect is significant, we apply the tight-binding method to obtain the frequency-dependent permittivity and permeability of these molecular SRRs with their tensorial properties carefully considered.

  7. Arrays of high quality SAM-based junctions and their application in molecular diode based logic

    Science.gov (United States)

    Wan, Albert; Suchand Sangeeth, C. S.; Wang, Lejia; Yuan, Li; Jiang, Li; Nijhuis, Christian A.

    2015-11-01

    This paper describes a method to fabricate a microfluidic top-electrode that can be utilized to generate arrays of self-assembled monolayer (SAM)-based junctions. The top-electrodes consist of a liquid-metal of GaOx/EGaIn mechanically stabilized in microchannels and through-holes in polydimethylsiloxane (PDMS); these top-electrodes form molecular junctions by directly placing them onto the SAM supported by template-stripped (TS) Ag or Au bottom-electrodes. Unlike conventional techniques to form multiple junctions, our method does not require lithography to pattern the bottom-electrode and is compatible with TS bottom-electrodes, which are ultra-flat with large grains, free from potential contamination of photoresist residues, and do not have electrode-edges where the molecules are unable to pack well. We formed tunneling junctions with n-alkanethiolate SAMs in yields of ~80%, with good reproducibility and electrical stability. Temperature dependent J(V) measurements indicated that the mechanism of charge transport across the junction is coherent tunneling. To demonstrate the usefulness of these junctions, we formed molecular diodes based on SAMs with Fc head groups. These junctions rectify currents with a rectification ratio R of 45. These molecular diodes were incorporated in simple electronic circuitry to demonstrate molecular diode-based Boolean logic.This paper describes a method to fabricate a microfluidic top-electrode that can be utilized to generate arrays of self-assembled monolayer (SAM)-based junctions. The top-electrodes consist of a liquid-metal of GaOx/EGaIn mechanically stabilized in microchannels and through-holes in polydimethylsiloxane (PDMS); these top-electrodes form molecular junctions by directly placing them onto the SAM supported by template-stripped (TS) Ag or Au bottom-electrodes. Unlike conventional techniques to form multiple junctions, our method does not require lithography to pattern the bottom-electrode and is compatible with TS

  8. Epidemiología molecular del virus sincicial respiratorio en pacientes pediátricos en un período de seis años

    Directory of Open Access Journals (Sweden)

    Mariana Viegas

    2011-03-01

    Full Text Available El virus sincicial respiratorio humano (HRSV es la principal causa de infección respiratoria aguda baja (IRAB grave en niños pequeños, no existiendo una vacuna eficaz para prevenirlo. Se analizaron muestras de aspirados nasofaríngeos de pacientes hospitalizados por IRAB en un período de seis años (1999-2004. Por RT-PCR se subtipificaron 353 muestras positivas para HRSV por inmunofluorescencia directa. Entre éstas, 65,7% pertenecieron al subtipo A y 34,3% al subtipo B. Por amplificación, RFLP y secuenciación del gen de la glucoproteína G, principal antígeno neutralizante, se estudiaron las relaciones filogenéticas. Para el subtipo A, se encontraron dos patrones de restricción principales (PA1 y PA2 y dos genotipos, GA2 y GA5, que cocircularon durante el período analizado. El análisis filodinámico determinó alternancia en la circulación de clados genéticos en el tiempo entre Argentina y otros países, mientras que otros cocircularon globalmente. El análisis del subtipo B, permitió describir un evento genético inusual, la duplicación de un segmento de 60 nucleótidos. Filodinámicamente se demostró que estos virus, denominados BA, circularon en Argentina durante todo el período analizado, asociándose con cepas del resto del mundo y mostrando un ancestro en común que probablemente se haya generado en Argentina entre 1997 y 1999. Este trabajo contribuye a un mejor conocimiento evolutivo del virus, dándole un rol fundamental al laboratorio de virología en la vigilancia molecular activa.

  9. Optical fiber-based photomechanical molecular delivery system

    Science.gov (United States)

    Nakano, Koki; Sato, Shunichi; Kawauchi, Satoko; Ashida, Hiroshi; Nishidate, Izumi

    2014-02-01

    Molecular delivery based on nanosecond pulsed laser-induced photomechanical waves (PMWs) enables endoscopic application by using an optical fiber for laser transmission. In our previous fiber system, a laser target, which was a black natural rubber film as a laser absorbing material covered with an optically transparent polyethylene terephthalate disk to confine the laser-induced plasma, was attached to the output end of a 1 mm core diameter quartz fiber. There were two problems in that system: 1) the outer diameter was large (~2.7 mm) and 2) available peak pressure rapidly decreased with increasing pulse number. In this study, we developed a new fiber delivery system to overcome these problems. As a laser absorbing material, we used a cap-type silicone rubber containing carbon black, into which the fiber output end can simply be inserted. The fiber end surface works to confine the laser-induced plasma. The outer diameter of the fiber system was reduced to ~1.4 mm. At an output laser fluence of 1.2 J/cm2, peak pressure of the first PMW pulse exceeded ~40 MPa. With successive 10 laser pulses, decreasing rate of the peak pressure was 22%, which was considerably lower than that with the previous fiber system (82%), enabling generation of at least successive 30 pulses of PMW with the same cap-type target. With this fiber system, we attempted transfer of plasmid DNA encoding EGFP (enhanced green fluorescence protein) to the rat skin as a test tissue in vivo, showing site-selective efficient gene expression.

  10. Congenital neutropenia: diagnosis, molecular bases and patient management

    Directory of Open Access Journals (Sweden)

    Chantelot Christine

    2011-05-01

    Full Text Available Abstract The term congenital neutropenia encompasses a family of neutropenic disorders, both permanent and intermittent, severe ( When neutropenia is detected, an attempt should be made to establish the etiology, distinguishing between acquired forms (the most frequent, including post viral neutropenia and auto immune neutropenia and congenital forms that may either be isolated or part of a complex genetic disease. Except for ethnic neutropenia, which is a frequent but mild congenital form, probably with polygenic inheritance, all other forms of congenital neutropenia are extremely rare and have monogenic inheritance, which may be X-linked or autosomal, recessive or dominant. About half the forms of congenital neutropenia with no extra-hematopoetic manifestations and normal adaptive immunity are due to neutrophil elastase (ELANE mutations. Some patients have severe permanent neutropenia and frequent infections early in life, while others have mild intermittent neutropenia. Congenital neutropenia may also be associated with a wide range of organ dysfunctions, as for example in Shwachman-Diamond syndrome (associated with pancreatic insufficiency and glycogen storage disease type Ib (associated with a glycogen storage syndrome. So far, the molecular bases of 12 neutropenic disorders have been identified. Treatment of severe chronic neutropenia should focus on prevention of infections. It includes antimicrobial prophylaxis, generally with trimethoprim-sulfamethoxazole, and also granulocyte-colony-stimulating factor (G-CSF. G-CSF has considerably improved these patients' outlook. It is usually well tolerated, but potential adverse effects include thrombocytopenia, glomerulonephritis, vasculitis and osteoporosis. Long-term treatment with G-CSF, especially at high doses, augments the spontaneous risk of leukemia in patients with congenital neutropenia.

  11. La identidad cultural del territorio como base de una estrategia de desarrollo sostenible

    Directory of Open Access Journals (Sweden)

    Murilo Flores

    2007-01-01

    Full Text Available En este artículo Flores presenta el debate actual sobre las nociones y conceptos que conducen a un territorio con identidad cultural, y cómo se establecen políticas o acciones de desarrollo en este tipo de territorio, y de valorización de los productos y servicios. Se presenta un conjunto signi- ficativo de autores y se establecen las relaciones entre estrategias de desarrollo con identidad cultural y la sostenibilidad de este proceso de desarrollo, considerando aspectos económicos, sociales, ecológicos, culturales y políticos. El artículo da cuenta de la base teórica relativa a la construcción social del territorio y de su identidad. Se discute cómo se procesa la valorización de los productos locales en ese contexto, para luego presentar una propuesta de desarrollo territorial en una perspectiva de ecodesarrollo. Igualmente, se presentan algunos aspectos institucionales sobre los modos de gobernanza y los distintos tipos de políticas. Por último, se enfatiza la importancia del proceso participativo de construcción del desarrollo territorial.

  12. La identidad cultural del territorio como base de una estrategia de desarrollo sostenible

    Directory of Open Access Journals (Sweden)

    Murilo Flores

    2007-11-01

    Full Text Available En este artículo Flores presenta el debate actual sobre las nociones y conceptos que conducen a un territorio con identidad cultural, y cómo se establecen políticas o acciones de desarrollo en este tipo de territorio, y de valorización de los productos y servicios. Se presenta un conjunto significativo de autores y se establecen las relaciones entre estrategias de desarrollo con identidad cultural y la sostenibilidad de este proceso de desarrollo, considerando aspectos económicos, sociales, ecológicos, culturales y políticos. El artículo da cuenta de la base teórica relativa a la construcción social del territorio y de su identidad. Se discute cómo se procesa la valorización de los productos locales en ese contexto, para luego presentar una propuesta de desarrollo territorial en una perspectiva de ecodesarrollo. Igualmente, se presentan algunos aspectos institucionales sobre los modos de gobernanza y los distintos tipos de políticas. Por último, se enfatiza la importancia del proceso participativo de construcción del desarrollo territorial.

  13. Sistema del fosfórico. Resolución de mezclas de fosfatos por volumetría ácido-base.

    OpenAIRE

    Milla González, Miguel

    2013-01-01

    Se entrega a un alumno un problema que puede contener una especie del sistema del fosfórico o mezclas binarias compatibles del mismo en forma de sales solubles. Deberá encontrarse de forma razonada si el problema corresponde al primer o al segundo tipo y averiguar la composición porcentual del mismo mediante una valoración ácido base. El ejercicio incluye consideraciones teóricas de la valoración utilizando la curva completa de valoración del ácido fosfórico, el empleo del diagrama de distrib...

  14. Bases moleculares de la síntesis de termoespermina y sus implicaciones en el desarrollo vascular de Arabidopsis thaliana

    OpenAIRE

    Vera Sirera, Francisco

    2011-01-01

    Interés del estudio: el desarrollo vascular de las plantas, y más concretamente del xilema es un proceso determinante en el correcto desarrollo de las plantas, y vital para la formación de los recursos madereros de los mismos. Objetivos: los dos objetivos principales de esta tesis son: a) establecer los mecanismos moleculares por los cuales la termoespermina controla la correcta formación del xilema. b) encontrar las diferencias estructurales entre las diversas aminopropil transfera...

  15. USO DE MODELOS MOLECULARES TRIDIMENSIONALES PARA LA ENSEÑANZA DEL NIVEL SUBMICROSCÓPICO DE LA MATERIA EN EL CURSO FUNDAMENTOS DE QUÍMICA

    Directory of Open Access Journals (Sweden)

    Catalina Betancourt

    2013-08-01

    Full Text Available This research arises as part of the process of action research carried out by the members of the chair of general Chemistry, in the search of improvements in the teaching and learning of chemistry. In this sense, it was considered to work on the submicroscopic level of the matter, through the use of tridimensional molecular models. Models help to explain the structure of matter, inspire the imagination, stimulate thought and assist the visualization of chemical phenomena. The purpose of the work was to implement the strategy of molecular models in structural chemistry contents, in the Fundamentals of Chemistry course in the UPEL-IPC. Among the issues discussed, were included: States of aggregation, chemical bonding, nomenclature and chemical reactions. In these contents students presented difficulty in comprehension which may be due to the conceptual complexity and non-differentiation of the levels of Chemistry. This is how this strategy contains an action plan where the student is an active participant, ranging from the elaboration of the model with low-cost materials, to the design of the spatial form and types of molecules links. The study was framed in the sociocritical theory which wants to make evident the changes in the studied reality. In terms of the obtained results, it was observed a high level of participation and motivation of the students in the contents where molecular models were used, during six academic periods. However, there is no evidence of having led to a significant learning in the submicroscopic world.La investigación surge como parte del proceso de investigación acción que desarrollan los miembros de la Cátedra de Química General, en busca de mejoras en la enseñanza y aprendizaje de la Química, en este sentido, se consideró trabajar el nivel submicroscópico de la materia, a través del uso de los modelos moleculares tridimensionales. Los modelos ayudan a explicar la estructura de la materia, inspiran la

  16. El papel del capital humano y el aprendizaje en las microempresas de base social en Baja California

    OpenAIRE

    Martin Ramírez Urquidy; Michelle Texis Flores; José Gabriel Aguilar Barceló

    2014-01-01

    Este trabajo tiene como objetivos conocer la estructura del capital humano y el aprendizaje en las microempresas de base social del estado de Baja California y determinar el papel de éste sobre el desempeño micro­ empresarial. Ello con el fin de establecer un diagnóstico sobre su contribución y obtener algunas implicaciones de política pública para el sector en esta temática. Los resultados afirman la importancia del capital humano sobre el desempeño de este tipo de negocios, pues existe una ...

  17. Molecular-based electronically switchable tunnel junction devices.

    Science.gov (United States)

    Collier, C P; Jeppesen, J O; Luo, Y; Perkins, J; Wong, E W; Heath, J R; Stoddart, J F

    2001-12-19

    Solid-state tunnel junction devices were fabricated from Langmuir Blodgett molecular monolayers of a bistable [2]catenane, a bistable [2]pseudorotaxane, and a single-station [2]rotaxane. All devices exhibited a (noncapacitive) hysteretic current-voltage response that switched the device between high- and low-conductivity states, although control devices exhibited no such response. Correlations between the structure and solution-phase dynamics of the molecular and supramolecular systems, the crystallographic domain structure of the monolayer film, and the room-temperature device performance characteristics are reported. PMID:11741428

  18. [Spectroscopic study of diazepam molecularly imprinted polymers and initiative application to conductimetric sensor based on molecularly imprinted films].

    Science.gov (United States)

    Liu, Xiao-fang; Li, Feng; Yao, Bing; Wang, Li; Liu, Guo-yan; Chai, Chun-yan

    2010-08-01

    The molecularly imprinted polymers were synthesized using diazepam as the template and molecularly imprinted films (MIF) prepared on screen printed electrodes (SPE). The binding mechanism and recognition characteristics of the molecularly imprinted polymers were studied by ultraviolet (UV) spectra and infrared (IR) spectra. In addition, a conductimetric sensor for diazepam was established preliminarily based on diazepam MIF modified SPE. The results of UV spectra indicated that template molecules and functional monomers had formed 1:2 hydrogen bonding complexes; the results of IR spectra showed that there were some functional groups in the molecularly imprinted polymers which could interact with the template molecules. The molecularly imprinted polymers manifested highly recognition to diazepam. The response of the conductimetric sensor to the concentration of diazepam displayed a linear correlation over a range of 0.04 to 0.62 mg x L(-1) with a detection limit of 0.008 mg x L(-1). The sensor is suitable for on-the-spot detection of diazepam. PMID:20939345

  19. Variantes moleculares en el gen L1 del virus del papiloma humano tipo 16, y regiones de la proteína L1 probablemente involucradas en la interacción virus-célula epitelial

    Directory of Open Access Journals (Sweden)

    María Mercedes Bravo

    2004-03-01

    Full Text Available

    La infección con virus del papiloma humano de alto riesgo es considerada como el principal factor de riesgo en el desarrollo del cáncer de cuello uterino. Entre los HPV de alto riesgo, el tipo 16 es el más frecuente tanto en mujeres con citología normal, como en mujeres con lesiones premalignas y en cáncer invasivo. Se ha demostrado la existencia de variaciones en la secuencia del genoma de HPV16, estos polimorfismos se han agrupado en cinco ramas filogenéticas denominadas según su distribución geográfica: Europeas (E, Asiaticas-Americanas (AA, Asiáticas (As, Africanas (Af y Norteamericanas (NA; determinadas por sustituciones nucleotídicas en los genes E6, L1 y L2 y la región larga de control.

    Varios estudios han sugerido que las variantes no Europeas son más agresivas que las Europeas, esto puede ser el reflejo de una interacción diferente con el huésped y por tanto implicar diferencias en el resultado final de la infección (mayor persistencia o mayor oncogenicidad.

    Particularmente se ha demostrado que las variaciones en la secuencia de aminoácidos de la proteína L1, la proteína principal de la cápside viral, pueden modificar las epítopes neutralizantes del virus afectando la efectividad de la respuesta inmune, también estas variaciones pueden afectar la capacidad de ensamble de las cápsides y la afinidad por receptores a nivel epitelial.

    El propósito de este estudio fue identificar las variaciones moleculares del gen L1 de HPV16 en aislamientos provenientes de cepillados cervicales de mujeres colombianas con citología normal y con cáncer de cuello uterino, con el fin de analizar si existen variaciones que alteren las regiones

  20. Análisis del Plan de Acción del humedal Torca, con base en la evaluación ambiental estratégica

    Directory of Open Access Journals (Sweden)

    Aura Yolanda Díaz-Lozano

    2014-12-01

    Full Text Available Presenta los resultados del análisis realizado, con base en la Evaluación Ambiental Estratégica (EAE, al Plan de Acción del humedal de Torca (Bogotá, en el marco de su Plan de Manejo Ambiental, con el fin de contribuir a su conservación. Para lograrlo, se llevaron a cabo las siguientes fases de la EAE: Análisis de la Gestión Ambiental Distrital sobre el humedal Torca; Diagnóstico ambiental; Determinación del estado actual de la política distrital de humedales y del PAHT; Evaluación ambiental de opciones, y Prevención y seguimiento. El análisis se enmarca en el proyecto de investigación de la Maestría en Desarrollo Sustentable y Gestión Ambiental, de la Universidad Distrital Francisco José de Caldas.

  1. Molecular Similarity Based on Super-Ball Algorithm

    Institute of Scientific and Technical Information of China (English)

    2001-01-01

    The molecular similarity of 139 organic compounds was calculated by the topologic index method, the flexible super-ball algorithm was used to scan similar molecules and structures. The results show that the properties of organic compounds estimated from this method are reliable.

  2. Caracterización molecular del pato criollo colombiano en cuatro departamentos Molecular characterization of the Colombian creole duck in four departments

    Directory of Open Access Journals (Sweden)

    Darwin Hernández

    Full Text Available Se evaluaron 53 individuos de patos Muscovy de los departamentos de Caldas, Risaralda, Antioquia y Valle del Cauca con tres cebadores RAMs. Se generaron 71 loci polimórficos (61.2% con 0.19 de heterocigosidad. El cebador con mayor heterocigosidad fue CGA (0.23 y CA el de mayor loci polimórfico (76.1%. La técnica RAMs permitió diferenciar los géneros Anas y Cairina a un índice de similitud de 0.83. Con un índice de similitud del 0.894, los patos Muscovy formaron cinco grupos. El mejor cebador para diferenciar especies fue CCA (Fst= 0.274. La diferenciación genética en la muestra poblacional fue moderada (Fst= 0.2045.53 individuals of Muscovy ducks from Caldas, Risaralda, Antioquia and Valle del Cauca departments with three primers RAMs were evaluated. 71 polymorphic loci (61,2% were generated with 0.19 of heterocigozity. The primer with the highest heterocigozity was CGA (0.23 and CA had the highest polymorphic loci (76.1%. The RAMs technique allowed to discriminate Anas and Cairina genus with an index of similarity of 0.83. At a 0.894 of similarity index, the Muscovy ducks formed 5 groups. The best primer to discriminate species was CCA (Fst= 0.274. The genetic differentiation was moderate (Fst= 0.2045.

  3. Fitoterapia molecular como parte de la medicina alternativa complementaria en las enfermedades del hígado

    OpenAIRE

    María De La Luz Miranda Beltrán; Luis Huacuja Ruiz; Alma Lorena López Velázquez; Arturo Panduro Cerda

    2005-01-01

    En todo el mundo el interés por la Medicina Alternativa Complementaria (MAC) sigue aumentando significativamente. El propósito de esta investigación fue determinar la frecuencia y el tipo de Medicina Alternativa que se utiliza en los tratamientos de las enfermedades del hígado. Está bien demostrado que la cirrosis, hepatitis virales y la diabetes mellitus representan un sistema muy articulado que altera la fisiología, el metabolismo y la citoarquitectura del hígado. En este estado patofisioló...

  4. Construction of an interspecific genetic map based on InDel and SSR for mapping the QTLs affecting the initiation of flower primordia in pepper (Capsicum spp..

    Directory of Open Access Journals (Sweden)

    Shu Tan

    Full Text Available Re-sequencing permits the mining of genome-wide variations on a large scale and provides excellent resources for the research community. To accelerate the development and application of molecular markers and identify the QTLs affecting the flowering time-related trait in pepper, a total of 1,038 pairs of InDel and 674 SSR primers from different sources were used for genetic mapping using the F2 population (n = 154 derived from a cross between BA3 (C. annuum and YNXML (C. frutescens. Of these, a total of 224 simple PCR-based markers, including 129 InDels and 95 SSRs, were validated and integrated into a map, which was designated as the BY map. The BY map consisted of 13 linkage groups (LGs and spanned a total genetic distance of 1,249.77 cM with an average marker distance of 5.60 cM. Comparative analysis of the genetic and physical map based on the anchored markers showed that the BY map covered nearly the whole pepper genome. Based on the BY map, one major and five minor QTLs affecting the number of leaves on the primary axis (Nle were detected on chromosomes P2, P7, P10 and P11 in 2012. The major QTL on P2 was confirmed based on another subset of the same F2 population (n = 147 in 2014 with selective genotyping of markers from the BY map. With the accomplishment of pepper whole genome sequencing and annotations (release 2.0, 153 candidate genes were predicted to embed in the Nle2.2 region, of which 12 important flowering related genes were obtained. The InDel/SSR-based interspecific genetic map, QTLs and candidate genes obtained by the present study will be useful for the downstream isolation of flowering time-related gene and other genetic applications for pepper.

  5. Caracterización molecular con marcadores RAM de árboles nativos de Psidium guajava (guayaba en el Valle del Cauca

    Directory of Open Access Journals (Sweden)

    Sanabria Hilsy L

    2006-03-01

    Full Text Available COMPENDIO Se evaluaron 53 accesiones de Psidium guajava Valle del Cauca, utilizando marcadores microsatélites aleatorios RAM. Los seis primeros usados generaron 74 bandas polimórficas, con pesos moleculares de 100 a 700 pb. El porcentaje de loci Polimórfico en cinco de los primeros resultó ser del 100% (P < 0.05 y la diversidad génica de 0.4386. El Análisis de Varianza Molecular (AMOVA reveló que el 64.51% de la varianza total haplotípica contabiliza para variaciones dentro de transectos. El análisis de clasificación reflejó un agrupamiento que no correspondía a un patrón geográfico, lo cual indica que la especie de guayaba tiene alta diseminación. El análisis conjunto de las características morfológicas y moleculares suministró una caracterización confiable. La variación total de los descriptores morfológicos y valores moleculares fue explicada en un 77.58% mediante CP, donde las variables originales alcanzaron valores de comunalidad desde 57.22 a un 95.99% dentro de cinco variables sintéticas generadas. El ACM permitió caracterizar las accesiones en cuatro grupos, en los cuales según el análisis discriminante casi el 100% de las accesiones quedaron debidamente clasificadas. Palabras claves: Psidium guajava, accesiones, biodiversidad, marcadores genéticos, análisis molecular, clasificación. ABSTRACT Molecular characteristics of Psidium guajava in the Cauca Valley, Colombia. 53 accessions of Psidium guajava were collected in 9 zones of the Valley of the Cauca. The accessions were characterized molecularly by Microsatellite Amplificated Random RAMs, with the purpose to estimate the diversity and genetic structure that this specie possesses. Six primers were utilized and generated 74 polymorphisms bands with molecular weights from 100 to 700 pb. Five primers resulted to be 100% (P<0.05 polymorphic and the estimated gene diversity was 0.4386. The Analysis of Molecular Variance (AMOVA showed that the 64

  6. Calidad en el laboratorio de urgencias: determinación del estado ácido-base

    Directory of Open Access Journals (Sweden)

    Silvia Andrea Holod

    2011-09-01

    Full Text Available El procesamiento de una muestra en el laboratorio implica su paso a través de tres etapas: la preanalítica, la analítica y la postanalítica. En el presente trabajo se propuso analizar la etapa preanalítica para la determinación del estado ácido-base (EAB a través de la comparación de muestras extraídas en diferentes tipos de jeringas y del efecto del tiempo de almacenamiento, estudiar el desempeño analítico y la concordancia entre dos analizadores gemelos y evaluar si los resultados permiten trabajar bajo las especificaciones de calidad requeridas. Para ello se utilizaron 2 microprocesadores automáticos de gases en sangre en los cuales se midieron pH, pCO2 y pO2, y se fijaron las especificaciones de calidad derivadas de CLIA (Clinical Laboratory Improvement Amendments como requerimento a cumplir. La imprecisión intraensayo (CVi y entreensayos (CVe fue determinada con material de control comercial. Sobre un total de 239 muestras de pacientes, 20 se utilizaron para realizar la comparación entre muestras extraídas en jeringas con heparina sódica en solución y con heparina de litio liofilizada; 110 muestras se procesaron para evaluar el efecto del tiempo de almacenamiento y 109 para la comparación entre ambos instrumentos. Los CVi y CVe fueron aceptables para los 3 parámetros. Las diferencias halladas entre las muestras obtenidas con las diferentes jeringas no superaron los límites permitidos. No se observaron diferencias significativas en los resultados hasta los 120 minutos de procesamiento. Los coeficientes de correlación de las muestras procesadas en ambos instrumentos fueron 0,931 para pH, 0,985 para pCO2 y 0,950 para pO2. El sesgo fue aceptable así como también el porcentaje de equivalencia clínica para los tres parámetros. Se concluye que la evaluación de los resultados de instrumentos gemelos y la implementación de programas sistemáticos de conmutabilidad son fundamentales para conseguir la disminuci

  7. VIGENCIA DEL DOGMA DE LA IRRESPONSABILIDAD DEL ESTADO LEGISLADOR EN EL ESTADO CONSTITUCIONAL DE DERECHO. ENSAYANDO BASES PARA UNA TEORÍA SOBRE LA RESPONSABILIDAD PATRIMONIAL DEL ESTADO LEGISLADOR

    OpenAIRE

    J. Ignacio Núñez Leiva

    2011-01-01

    El presente trabajo contextualiza la figura de la responsabilidad patrimonial del Estado legislador en las teorías del Derecho elaboradas al amparo del constitucionalismo contemporáneo. Sugiere que la Teoría del Derecho en su estado actual configura un espacio fértil para la procedencia del instituto reparatorio por hechos dañosos del legislador.

  8. Molecular Gastronomy: A Food Fad or an Interface for Science-based Cooking?

    OpenAIRE

    Linden, van der, M.; McClements, D.J.; Ubbink, J.

    2008-01-01

    A review is given over the field of molecular gastronomy and its relation to science and cooking. We begin with a brief history of the field of molecular gastronomy, the definition of the term itself, and the current controversy surrounding this term. We then highlight the distinction between molecular gastronomy and science-based cooking, and we discuss both the similarities and the distinctions between science and cooking. In particular, we highlight the fact that the kitchen serves as an i...

  9. Similaridad Estructural de Sistemas Dinámicos Molecular con Base a sus Trayectorias

    OpenAIRE

    H. Castañeda Marín; W. Rodríguez Graterol; E. Colina Morles; A.J. Chacón

    2007-01-01

    En la Dinámica Molecular (DM) una configuración sucesiva es generada mediante la integración de las leyes de movimiento de Newton, las trayectorias resultantes nos dan información acerca de como las posiciones y velocidades de las partículas en el sistema cambian con el transcurso del tiempo, en este contexto lo que mayor costo computacional exige es la determinación de las fuerzas aplicadas a cada partícula en su respectiva posición. Generalmente en la DM se suelen utilizar mo...

  10. Effect of molecular electrical doping on polyfuran based photovoltaic cells

    Energy Technology Data Exchange (ETDEWEB)

    Yu, Shuwen; Opitz, Andreas; Salzmann, Ingo, E-mail: ingo.salzmann@physik.hu-berlin.de [Humboldt-Universität zu Berlin, Institut für Physik and IRIS Adlershof, Brook-Taylor Straße 6, 12489 Berlin (Germany); Frisch, Johannes [Helmholtz-Zentrum für Materialien und Energie GmbH, Bereich Solarenergieforschung, Albert-Einstein-Straße 15, 12489 Berlin (Germany); Cohen, Erez; Bendikov, Michael [Department of Organic Chemistry, Weizmann Institute of Science, 76100 Rehovot (Israel); Koch, Norbert [Humboldt-Universität zu Berlin, Institut für Physik and IRIS Adlershof, Brook-Taylor Straße 6, 12489 Berlin (Germany); Helmholtz-Zentrum für Materialien und Energie GmbH, Bereich Solarenergieforschung, Albert-Einstein-Straße 15, 12489 Berlin (Germany)

    2015-05-18

    The electronic, optical, and morphological properties of molecularly p-doped polyfuran (PF) films were investigated over a wide range of doping ratio in order to explore the impact of doping in photovoltaic applications. We find evidence for integer-charge transfer between PF and the prototypical molecular p-dopant tetrafluoro-tetracyanoquinodimethane (F4TCNQ) and employed the doped polymer in bilayer organic solar cells using fullerene as acceptor. The conductivity increase in the PF films at dopant loadings ≤2% significantly enhances the short-circuit current of photovoltaic devices. For higher doping ratios, however, F4TCNQ is found to precipitate at the heterojunction between the doped donor polymer and the fullerene acceptor. Ultraviolet photoelectron spectroscopy reveals that its presence acts beneficial to the energy-level alignment by doubling the open-circuit voltage of solar cells from 0.2 V to ca. 0.4 V, as compared to pristine PF.

  11. Molecular evaluations of thirty one clones of poplar based on RAPD and SSR molecular markers

    Directory of Open Access Journals (Sweden)

    Singh M.K.

    2014-01-01

    Full Text Available Poplar is an important tree species valued all over the world for its wood importance. Despite limited knowledge of the levels of genetic diversity and relatedness, their cultivation as a source of plywood is widespread. In order to facilitate reasoned scientific decisions on its management and conservation and prepare for selective breeding programme, genetic analysis of 31 genotypes was performed using RAPD and SSR molecular markers. Twenty six RAPD primers and 14 SSR primers amplified a total of 236 and 85 scoreable bands of which 86.44% and 86.02% were polymorphic. The mean coefficient of gene differentiation (Gst was 0.388 and 0.341 indicating that 61.2% and 65.9% of the genetic variation resided within the populations. Analysis of molecular variance (AMOVA indicated that majority of genetic variation (94.6% using RAPD and 89% using SSR occurred among genotypes, while the variation between the three groups (categorized as tall, medium and small plants height was 5.4% (using RAPD and 11% (using SSR. The dendrogram obtained from NJ and STRUCTURE analysis revealed splitting of genotypes into four clusters with clear distinction between short, medium and tall height genotypes, indicated that genetic differentiations measure with respect to RAPD and SSR. However, both the markers were equally useful in providing some understanding about the genetic relationship of different genotypes of poplar that are important in the conservation and exploitation of poplar genetic resources.

  12. Choline metabolism-based molecular diagnosis of cancer: an update

    OpenAIRE

    Glunde, Kristine; Penet, Marie-France; Jiang, Lu; Jacobs, Michael A.; Zaver M Bhujwalla

    2015-01-01

    Abnormal choline metabolism continues to be identified in multiple cancers. Molecular causes of abnormal choline metabolism are changes in choline kinase-α, ethanolamine kinase-α, phosphatidylcholine-specific phospholipase C and -D and glycerophosphocholine phosphodiesterases, as well as several choline transporters. The net outcome of these enzymatic changes is an increase in phosphocholine and total choline (tCho) and, in some cancers, a relative decrease of glycerophosphocholine. The incre...

  13. Descifrando las bases moleculares de la resistencia cuantitativa

    OpenAIRE

    Lopez Camilo

    2011-01-01

    Uno de los factores mas importantes que afectan los cultivos son las enfermedades ocasionadas por los patógenos. La resistencia vegetal ha sido clásicamente dividida en dos tipos: i) competa, vertical o cualitativa que es gobernada por un solo gen y ii) incompleta, horizontal o cuantitativa la cual es gobernada por varios genes. Aunque la resistencia cuantitativa provee resistencia de amplio espectro y es durable, los mecanismo moleculares subyacentes no han sido estudiados en detalle. En est...

  14. Electron dopable molecular wires based on the extended viologens

    Czech Academy of Sciences Publication Activity Database

    Kolivoška, Viliam; Gál, Miroslav; Pospíšil, Lubomír; Valášek, Michal; Hromadová, Magdaléna

    2011-01-01

    Roč. 13, č. 23 (2011), s. 11422-11429. ISSN 1463-9076 R&D Projects: GA ČR GA203/08/1157; GA ČR GA203/09/0705; GA AV ČR IAA400400802; GA MŠk(CZ) MEB041006 Institutional research plan: CEZ:AV0Z40400503; CEZ:AV0Z40550506 Keywords : electron transfer * spectroelectrochemistry * molecular wires Subject RIV: CG - Electrochemistry Impact factor: 3.573, year: 2011

  15. Dissecting plasmodesmata molecular composition by mass spectrometry-based proteomics

    OpenAIRE

    Salmon, Magali S.; Bayer, Emmanuelle M. F.

    2013-01-01

    In plants, the intercellular communication through the membranous channels called plasmodesmata (PD; singular plasmodesma) plays pivotal roles in the orchestration of development, defence responses, and viral propagation. PD are dynamic structures embedded in the plant cell wall that are defined by specialized domains of the endoplasmic reticulum (ER) and the plasma membrane (PM). PD structure and unique functions are guaranteed by their particular molecular composition. Yet, up to recent yea...

  16. Molecular Dynamics Simulation of Carbon Nanotube Based Gears

    Science.gov (United States)

    Han, Jie; Globus, Al; Jaffe, Richard; Deardorff, Glenn; Chancellor, Marisa K. (Technical Monitor)

    1996-01-01

    We used molecular dynamics to investigate the properties and design space of molecular gears fashioned from carbon nanotubes with teeth added via a benzyne reaction known to occur with C60. A modified, parallelized version of Brenner's potential was used to model interatomic forces within each molecule. A Leonard-Jones 6-12 potential was used for forces between molecules. One gear was powered by forcing the atoms near the end of the buckytube to rotate, and a second gear was allowed.to rotate by keeping the atoms near the end of its buckytube on a cylinder. The meshing aromatic gear teeth transfer angular momentum from the powered gear to the driven gear. A number of gear and gear/shaft configurations were simulated. Cases in vacuum and with an inert atmosphere were examined. In an extension to molecular dynamics technology, some simulations used a thermostat on the atmosphere while the hydrocarbon gear's temperature was allowed to fluctuate. This models cooling the gears with an atmosphere. Results suggest that these gears can operate at up to 50-100 gigahertz in a vacuum or inert atmosphere at room temperature. The failure mode involves tooth slip, not bond breaking, so failed gears can be returned to operation by lowering temperature and/or rotation rate. Videos and atomic trajectory files in xyz format are presented.

  17. Comprehensive characterization of molecular interactions based on nanomechanics.

    Directory of Open Access Journals (Sweden)

    Murali Krishna Ghatkesar

    Full Text Available Molecular interaction is a key concept in our understanding of the biological mechanisms of life. Two physical properties change when one molecular partner binds to another. Firstly, the masses combine and secondly, the structure of at least one binding partner is altered, mechanically transducing the binding into subsequent biological reactions. Here we present a nanomechanical micro-array technique for bio-medical research, which not only monitors the binding of effector molecules to their target but also the subsequent effect on a biological system in vitro. This label-free and real-time method directly and simultaneously tracks mass and nanomechanical changes at the sensor interface using micro-cantilever technology. To prove the concept we measured lipid vesicle (approximately 748*10(6 Da adsorption on the sensor interface followed by subsequent binding of the bee venom peptide melittin (2840 Da to the vesicles. The results show the high dynamic range of the instrument and that measuring the mass and structural changes simultaneously allow a comprehensive discussion of molecular interactions.

  18. Estudio in silico de bases moleculares en la actividad de antibióticos betalactámicos

    Directory of Open Access Journals (Sweden)

    Elso Manuel Cruz Cruz

    2014-08-01

    Full Text Available La variedad de antibióticos betalactámicos es resultado de modificaciones en las cadenas laterales unidas a la base estructural de estos fármacos. Se realiza el análisis integral de propiedades estructurales y electrónicas, estudiadas in silico, de una muestra de antibióticos betalactámicos e inhibidores de las betalactamasas; con el objetivo de incrementar los conocimientos acerca de las bases estructurales que sustentan sus características farmacológicas. Se emplearon cálculos semiempíricos para optimizar las geometrías de 17 compuestos betalactámicos. Las propiedades moleculares se calcularon siguiendo la teoría del funcional de la densidad. Se analizaron las densidades de cargas atómicas y los orbitales de frontera. Los cálculos se ejecutaron en computadoras personales. Las propiedades calculadas mostraron variaciones que permitieron definir dos grupos de compuestos: uno para las monobactamas y los inhibidores de las betalactamasas, con menor planaridad en el anillo betalactámico y características electrónicas asociadas a una menor reactividad; el otro grupo está conformado por las penicilinas, cefalosporinas y carbapenemas, más planas, estables estructuralmente y potencialmente más reactivas. Los parámetros estructurales del anillo betalactámico y la densidad de carga positiva del carbono carbonílico, sitio de reacción, no tuvieron variaciones significativas como consecuencia de las modificaciones en las cadenas laterales. El ceftobiprole, cefalosporina de quinta generación, se diferencia del resto de los betalactámicos estudiados por la disposición espacial de las cadenas laterales, con una estructura tridimensional más alargada, a partir de la cual es más fácil el acceso hasta el carbono carbonílico, potenciando una mayor actividad antibacteriana

  19. ESTRUCTURA MOLECULAR Y ANTIGÉNICA DE LA VACUNA CONTRA EL VIRUS DEL PAPILOMA HUMANO 16 (VPH 16 Antigenic and Molecular Structure of Human Papillomavirus (HPV 16 Vaccine

    Directory of Open Access Journals (Sweden)

    VÍCTOR ANDRÉS VANEGAS

    Full Text Available La proteína L1 del Virus del Papiloma Humano (VPH constituye el 80% de la cápside viral. Las vacunas profilácticas contra el VPH son sintetizadas a partir de la proteína L1 ensamblada en Partículas similares al Virus (del inglés VLP, las cuales son altamente inmunogénicas generando anticuerpos específicos de tipo y en algunos casos pueden presentar reacción cruzada entre tipos de VPH filogenéticamente próximos. La estructura de la proteína L1 del VPH es importante porque confiere estabilidad a la cápside mediante el establecimiento de interacciones intra e intercapsoméricas lo que asegura la integridad viral y antigénicamente porque contiene los epítopes que inducen la respuesta inmune protectora. En estudios en los que se evaluó la antigenicidad de la proteína L1 se determinó que los epítopes inmunodominantes de la cápside viral se encuentran en los bucles B-C, D-E, F-G, H-I y en el extremo C-terminal. Estos bucles son poco conservados entre los diferentes genotipos y se encuentran en segmentos de la proteína expuestos en la superficie de la cápside. Los aminoácidos situados en los bucles B-C, F-G y H-I son primordiales para el reconocimiento por los anticuerpos neutralizantes. Los diferentes subtipos y variantes presentan cambios en estos aminoácidos o en residuos que conforman otros epítopes. En esta revisión se presentará un estado del arte de la proteína L1 del VPH genotipo 16, la estructura y su importancia en el desarrollo de vacunas contra la infección producida por este virus.Human Papillomavirus L1 protein makes up 80% of the viral capsid and self assembles in Virus-like Particles (VLP; these particles are immunogenic, generate type-specific antibodies and can induce very limited cross-reactivity among highly homologous HPV types. In addition to its structural function, it confers the stability to the capsid by establishing disulfide bonds and other intra and intercapsomeric interactions, and also contains

  20. Molecular characterization of the Colombian creole duck in four departments Caracterización molecular del pato criollo colombiano en cuatro departamentos

    Directory of Open Access Journals (Sweden)

    Valencia Néstor

    2007-09-01

    Full Text Available 53 individuals of Muscovy ducks from Caldas, Risaralda, Antioquia and Valle del Cauca departments with three primers RAMs were evaluated. 71 polymorphic loci (61,2% were generated with 0.19 of heterocigozity. The primer with the highest heterocigozity was CGA (0.23 and CA had the highest polymorphic loci (76.1%. The RAMs technique allowed to discriminate Anas and Cairina genus with an index of similarity of 0.83. At a 0.894 of similarity index, the Muscovy ducks formed 5 groups. The best primer to discriminate species was CCA (Fst= 0.274. The genetic differentiation was moderate (Fst= 0.2045.Se evaluaron 53 individuos de patos Muscovy de los departamentos de Caldas, Risaralda, Antioquia y Valle del Cauca con tres cebadores RAMs. Se generaron 71 loci polimórficos (61.2% con 0.19 de heterocigosidad. El cebador con mayor heterocigosidad fue CGA (0.23 y CA el de mayor loci polimórfico (76.1%. La técnica RAMs permitió diferenciar los géneros Anas y Cairina a un índice de similitud de 0.83. Con un índice de similitud del 0.894, los patos Muscovy formaron cinco grupos. El mejor cebador para diferenciar especies fue CCA (Fst= 0.274. La diferenciación genética en la muestra poblacional fue moderada (Fst= 0.2045.

  1. Rapid Prototyping of Chemical Microsensors Based on Molecularly Imprinted Polymers Synthesized by Two-Photon Stereolithography.

    Science.gov (United States)

    Gomez, Laura Piedad Chia; Spangenberg, Arnaud; Ton, Xuan-Anh; Fuchs, Yannick; Bokeloh, Frank; Malval, Jean-Pierre; Tse Sum Bui, Bernadette; Thuau, Damien; Ayela, Cédric; Haupt, Karsten; Soppera, Olivier

    2016-07-01

    Two-photon stereolithography is used for rapid prototyping of submicrometre molecularly imprinted polymer-based 3D structures. The structures are evaluated as chemical sensing elements and their specific recognition properties for target molecules are confirmed. The 3D design capability is exploited and highlighted through the fabrication of an all-organic molecularly imprinted polymeric microelectromechanical sensor. PMID:27145145

  2. Diseño y creación de la base de datos documental del Grupo Godó

    OpenAIRE

    Salmurri, Carles; Abadal, Ernest (Ed.); Sancho, Mònica; Llevat, Miquel; Sulé, Andreu; Corbera, Maita

    2002-01-01

    Se describe y analiza el proyecto de diseño y creación de la base de datos corporativa del Grupo Godó. En primer lugar, se exponen las características de la situación de partida que originó la necesidad del proyecto. A continuación, se explican con detalle las características de la base de datos: su estructura, colecciones que integra, tratamiento documental, flujos de información e interfaces de consulta. Finalmente, se presenta una evaluación sobre el funcionamiento de a nueva base de datos...

  3. Graph of atomic orbitals and the molecular structure-descriptors based on it

    Directory of Open Access Journals (Sweden)

    ANDREY A. TOROPOV

    2005-04-01

    Full Text Available The graph of atomic orbitals (GAO is a novel type of molecular graph, recently proposed by one of the authors. Various molecular structure-descriptors computed for GAO are compared with their analogs computed for ordinary molecular graphs. The quality of these structure-descriptors was tested for correlation with the normal boiling points of alkanes and cycloalkanes. In all the studied cases, the results based on GAO are similar to, and usually slightly better than, those obtained by means of ordinary molecular graps.

  4. Molecular recognition of α-cyclodextrin (CD) to choral amino acids based on methyl orange as a molecular probe

    Science.gov (United States)

    Yuexian, Fan; Yu, Yang; Shaomin, Shuang; Chuan, Dong

    2005-03-01

    The molecular recognition interaction of α-CD to chiral amino acids was investigated by using spectrophotometry based on methyl orange as a molecular probe. The molecular recognition ability depended on the inclusion formation constants. The molecular recognition of α-CD to aromatic amino acids was the order: DL-tryptophan > L-tryptophan > L-phenylalanine > L-tyrosine ≈ DL-β-3,4-dihydroxy-phenylalanine; whereas for aliphatic amino acids, the order was: L- iso-leucine > L-leucine ≈ L-methionine ≈ DL-mehtionine > D-leucine. The effect of temperature on the inclusion interaction was examined and the thermodynamic parameters of inclusion process, Δ G, Δ H, Δ S, were determined. The experimental results indicated that the inclusion process was an exothermic and enthalpy-driven process accompanied with a negative or minor positive entropic contribution. The inclusion interaction between α-CD and amino acids satisfied the law of enthalpy-entropy compensation. The compensation temperature was 291 K.

  5. Molecular recognition of alpha-cyclodextrin (CD) to choral amino acids based on methyl orange as a molecular probe.

    Science.gov (United States)

    Yuexian, Fan; Yu, Yang; Shaomin, Shuang; Chuan, Dong

    2005-03-01

    The molecular recognition interaction of alpha-CD to chiral amino acids was investigated by using spectrophotometry based on methyl orange as a molecular probe. The molecular recognition ability depended on the inclusion formation constants. The molecular recognition of alpha-CD to aromatic amino acids was the order: DL-tryptophan > L-tryptophan > L-phenylalanine > L-tyrosine approximately DL-beta-3,4-dihydroxy-phenylalanine; whereas for aliphatic amino acids, the order was: L-iso-leucine > L-leucine approximately L-methionine approximately DL-mehtionine > D-leucine. The effect of temperature on the inclusion interaction was examined and the thermodynamic parameters of inclusion process, delta G, delta H, delta S, were determined. The experimental results indicated that the inclusion process was an exothermic and enthalpy-driven process accompanied with a negative or minor positive entropic contribution. The inclusion interaction between alpha-CD and amino acids satisfied the law of enthalpy-entropy compensation. The compensation temperature was 291 K. PMID:15683802

  6. On-chip molecular electronic plasmon sources based on self-assembled monolayer tunnel junctions

    Science.gov (United States)

    Du, Wei; Wang, Tao; Chu, Hong-Son; Wu, Lin; Liu, Rongrong; Sun, Song; Phua, Wee Kee; Wang, Lejia; Tomczak, Nikodem; Nijhuis, Christian A.

    2016-04-01

    Molecular electronic control over plasmons offers a promising route for on-chip integrated molecular plasmonic devices for information processing and computing. To move beyond the currently available technologies and to miniaturize plasmonic devices, molecular electronic plasmon sources are required. Here, we report on-chip molecular electronic plasmon sources consisting of tunnel junctions based on self-assembled monolayers sandwiched between two metallic electrodes that excite localized plasmons, and surface plasmon polaritons, with tunnelling electrons. The plasmons originate from single, diffraction-limited spots within the junctions, follow power-law distributed photon statistics, and have well-defined polarization orientations. The structure of the self-assembled monolayer and the applied bias influence the observed polarization. We also show molecular electronic control of the plasmon intensity by changing the chemical structure of the molecules and by bias-selective excitation of plasmons using molecular diodes.

  7. Molecular group dynamics study on slip flow of thin fluid film based on the Hamaker hypotheses

    Institute of Scientific and Technical Information of China (English)

    2010-01-01

    The thin fluid film was assumed to consist of a number of spherical fluid molecular groups and the attractive forces of molecular group pairs were calculated by the derived equation according to the three Hamaker homogeneous material hypotheses. Regarding each molecular group as a dynamics individual, the simulation method for the shearing motion of multilayer fluid molecular groups, which was initiated by two moving walls, was proposed based on the Verlet velocity iterative algorithm. The simulations reveal that the velocities of fluid molecular groups change about their respective mean velocities within a narrow range in steady state. It is also found that the velocity slips occur at the wall boundary and in a certain number of fluid film layers close to the wall. Because the dimension of molecular group and the number of group layers are not restricted, the hypothetical thickness of fluid film model can be enlarged from nanometer to micron by using the proposed simulation method.

  8. Molecular dynamics computer simulations based on NMR data

    International Nuclear Information System (INIS)

    In the work described in this thesis atom-atom distance information obtained from two-dimensional cuclear magnetic resonance is combined with molecular dynamics simulaitons. The simulation is used to improve the accuracy of a structure model constructed on the basis of NMR data. During the MD refinement the crude NMR structure is simultaneously optimized with respect to the atomic interaction function and to the set of atom-atom distances or other NMR information. This means that insufficient experimental data is completed with theoretical knowledge and the combination will lead to more reliable structures than would be obtained from one technique alone. (author). 191 refs.; 17 figs.; 12 schemes; 22 tabs

  9. Bases fisiológicas del entrenamiento físico en ciclismo

    OpenAIRE

    Rieu, M.; Bernal, Héctor

    2012-01-01

    En los deportes en los cuales el desempeño se basa en el desplazamiento horizontal del centro de gravedad del cuerpo, como en el caso de la marcha, la carrera a pie, el ciclismo..., el  objetivo del entrenamiento físico es aumentar la velocidad máxima con la cual se puede efectuar cierto desplazamiento.

  10. Establecimiento del nutriente limitante con base en los cambios de la estructura del ensamblaje fitoplanctónico e

    OpenAIRE

    RAMÍREZ-R., JOHN J.; González-B., Rois; Gutiérrez-V., Fernando León

    2012-01-01

    En un experimento de eutrofización artificial, se adicionó Nitrógeno en tresconcentraciones y Fósforo en cuatro a muestras de agua de la superficie del embalse LaFe, con el fin de establecer el nutriente limitante para el ensamblaje fitoplanctónico. Elagua enriquecida se colocó en bolsas plásticas transparentes de dos litros. Las colectasse llevaron a cabo quincenalmente (n = 12) durante seis meses. Se calcularon los valoresde la serie de números de Hill, los de riqueza y los de equidad. Fuer...

  11. Vibrational Spectra of Molecular Crystals with the Generalized Energy-Based Fragmentation Approach.

    Science.gov (United States)

    Fang, Tao; Jia, Junteng; Li, Shuhua

    2016-05-01

    The generalized energy-based fragmentation (GEBF) approach for molecular crystals with periodic boundary condition (PBC) (denoted as PBC-GEBF) is extended to allow vibrational spectra of molecular crystals to be easily computed at various theory levels. Within the PBC-GEBF approach, the vibrational frequencies of a molecular crystal can be directly evaluated from molecular quantum chemistry calculations on a series of nonperiodic molecular systems. With this approach, the vibrational spectra of molecular crystals can be calculated with much reduced computational costs at various theory levels, as compared to those required by the methods based on periodic electronic structure theory. By testing the performance of the PBC-GEBF method for two molecular crystals (CO2 and imidazole), we demonstrate that the PBC-GEBF approach can reproduce the results of the methods based on periodic electronic structure theory in predicting vibrational spectra of molecular crystals. We apply the PBC-GEBF method at second-order Møller-Plesset perturbation theory (PBC-GEBF-MP2 in short) to investigate the vibrational spectra of the urea and ammonia borane crystals. Our results show that the PBC-GEBF-MP2 method can provide quite accurate descriptions for the observed vibrational spectra of the two systems under study. PMID:27076120

  12. La teoría del granulado y su aplicación a sistemas moleculares complejos

    OpenAIRE

    Hijón de Miguel, Carmen

    2009-01-01

    El objetivo de esta tesis es el desarrollo de modelos de grano grueso para la simulación de sistemas moleculares complejos. Entendemos que un modelo de grano grueso es aquel que representa un sistema físico con menor número de grados de libertad que los que hay realmente en el sistema. Y por sistema molecular complejo entendemos aquel cuyos constituyentes son macromoléculas. El reto que plantea la simulación de los sistemas moleculares complejos es el desarrollo de modelos capaces de describi...

  13. Novel Metal Ion Based Estrogen Mimics for Molecular Imaging

    Energy Technology Data Exchange (ETDEWEB)

    Rajagopalan, Raghavan

    2006-01-30

    The overall objective of the SBIR Phase I proposal is to prepare and evaluate a new class of {sup 99m}Tc or {sup 94m}Tc containing estrogen-like small molecules ('estrogen mimics') for SPECT or PET molecular imaging of estrogen receptor positive (ER+) tumors. In this approach, the metal ion is integrated into the estrone skeleton by isosteric substitution of a carbon atom in the steroidal structure to give new class of mimics that are topologically similar to the native estrogen (Fig. 1). Although both N{sub 2}S{sub 2} and N{sub 3}S mimics 1 and 2 were considered as target structures, molecular modeling study revealed that the presence of the acetyl group at position-15 in the N{sub 3}S mimic 2 causes steric hinderance toward binding of 2 to SHBG. Therefore, initial efforts were directed at the synthesis and evaluation of the N{sub 2}S{sub 2} mimic 1.

  14. Fishing the molecular bases of Treacher Collins syndrome.

    Directory of Open Access Journals (Sweden)

    Andrea M J Weiner

    Full Text Available Treacher Collins syndrome (TCS is an autosomal dominant disorder of craniofacial development, and mutations in the TCOF1 gene are responsible for over 90% of TCS cases. The knowledge about the molecular mechanisms responsible for this syndrome is relatively scant, probably due to the difficulty of reproducing the pathology in experimental animals. Zebrafish is an emerging model for human disease studies, and we therefore assessed it as a model for studying TCS. We identified in silico the putative zebrafish TCOF1 ortholog and cloned the corresponding cDNA. The derived polypeptide shares the main structural domains found in mammals and amphibians. Tcof1 expression is restricted to the anterior-most regions of zebrafish developing embryos, similar to what happens in mouse embryos. Tcof1 loss-of-function resulted in fish showing phenotypes similar to those observed in TCS patients, and enabled a further characterization of the mechanisms underlying craniofacial malformation. Besides, we initiated the identification of potential molecular targets of treacle in zebrafish. We found that Tcof1 loss-of-function led to a decrease in the expression of cellular proliferation and craniofacial development. Together, results presented here strongly suggest that it is possible to achieve fish with TCS-like phenotype by knocking down the expression of the TCOF1 ortholog in zebrafish. This experimental condition may facilitate the study of the disease etiology during embryonic development.

  15. PET-based molecular nuclear neuro-imaging

    International Nuclear Information System (INIS)

    Molecular nuclear neuro-imaging in CNS drug discovery and development can be divided into four categories that are clearly inter-related. (1) Neuroreceptor mapping to examine the involvement of specific neurotransmitter system in CNS diseases, drug occupancy characteristics and perhaps examine mechanisms of action;(2) Structural and spectroscopic imaging to examine morphological changes and their consequences;(3) Metabolic mapping to provide evidence of central activity and CNS fingerprinting the neuroanatomy of drug effects;(4) Functional mapping to examine disease-drug interactions. In addition, targeted delivery of therapeutic agents could be achieved by modifying stem cells to release specific drugs at the site of transplantation('stem cell pharmacology'). Future exploitation of stem cell biology, including enhanced release of therapeutic factors through genetic stem cell engineering might thus constitute promising pharmaceutical approaches to treating diseases of the nervous system. With continued improvements in instrumentation, identification of better imaging probes by innovative chemistry, molecular nuclear neuro-imaging promise to play increasingly important roles in disease diagnosis and therapy

  16. Molecular characterization of dominant bacterial population in “Vastedda della Valle del Belice” cheese: preliminary investigation

    OpenAIRE

    Todaro, M; Currò, V; Scatassa, M.L.; Caracappa, S.; Vitale, F.; S. Reale

    2010-01-01

    The sensory characteristics of raw-milk cheeses are linked to the cheese-making process, to the environmental factors as animal feeding and to the biochemical and microbiological composition of the milk. In this report we temped to characterize the microflora in the typical Sicilian historical cheese as Vastedda della valle del Belice. Each cheese was previous subjected to microbial isolation on specific media (M17 and MRS). The colony obtained on the solid medium were subject to biochemical ...

  17. Estudio fotométrico de emisiones moleculares del cometa Halley en la etapa de post-perihelio.

    Science.gov (United States)

    Sisteró, R. F.; Clariá, J. J.; Lapasset, E.

    Results from photoelectric photometry in molecular bands of comet Halley carried out at Bosque Alegre are presented. The largest emissions measured are those of molecules of C2, CN and C3 respectively.

  18. Desarrollo de audiencias a través del estudio de bases de datos

    Directory of Open Access Journals (Sweden)

    Teresa Segura

    2015-06-01

    Full Text Available El estudio de bases de datos es un trabajo analítico perteneciente al campo del marketing. En el mundo de la empresa es muy frecuente estudiar las pautas de compra de individuos o grupos sociales con el fin de satisfacer las necesidades de estos o encontrar una nueva vía de negocio. En el campo artístico y cultural, estas prácticas han sido poco frecuentes por considerar la cultura como un bien que no debe someterse a las pautas del mercado. Sin embargo, ante la alta oferta cultural y la diversificación de canales de comunicación, se hace cada vez más difícil mantener una audiencia fiel y, por otro lado, conocer las nuevas formas en las que esta sociedad quiere consumir ahora es posible. A través de los datos que obtenemos en cada transacción o interacción de nuestro público con nuestra entidad cultural obtenemos información muy valiosa que nos habla de cómo debemos relacionarnos con nuestro público. Un tarea necesaria para lograr más independencia económica (más y mejor público comprando entradas y para ser relevantes y pertinentes con el público cultural.

  19. Analysis of Connectivity in Diffusion-Based Molecular Nano Communication Networks

    OpenAIRE

    Fereidouni, Arash

    2013-01-01

    ABSTRACT: A nanonetwork is an interconnection of nano devices that are made up of nano-scale components. Several approaches for designing and implementing nanonetworks have been presented in recent years. Diffusion-based molecular communication is one of these approaches that use molecules as means of transmitting information in network. In diffusion-based molecular communication, molecules or particles diffuse in an aqueous environment under Fick’s laws of diffusion to move from transmitter ...

  20. Electronic Transport Properties of a Naphthopyran-Based Optical Molecular Switch:an ab initio Study

    Institute of Scientific and Technical Information of China (English)

    XIA Cai-Juan; LIU De-Sheng; ZHANG Ying-Tang

    2011-01-01

    The electronic transport properties of a. Naphthopyran-based molecular optical switch are investigated by using the nonequilibrium Green's Function formalism combined with first-principles density functional theory. The molecule that comprises the switch can convert between its open and closed forms upon photoexcitation. Theoretical results show that the current through the open form is significantly larger than that through the closed form, which is different from other optical switches based on ring-opening reactions of the molecular bridge. The maximum on-off ratio (about 90) can be obtained at 1.4 V. The physical origin of the switching behavior is interpreted based on the spatial distributions of molecular orbitals and the HOMO-LUMO gap. Our result shows that the naphthopyran-based molecule is a good candidate for optical molecular switches and will be useful in the near future.%@@ ronic transport properties of a naphthopyran-based molecular optical switch are investigated by using the nonequilibrium Green's function formalism combined with first-principles density functional theory.The molecule that comprises the switch can convert between its open and closed forms upon photoexcitation.Theoretical results show that the current through the open form is significantly larger than that through the closed form,which is different from other optical switches based on ring-opening reactions of the molecular bridge.The maximum on-off ratio(about 90)can be obtained at 1.4 V.The physical origin of the switching behavior is interpreted based on the spatial distributions of molecular orbitals and the HOMO-LUMO gap.Our result shows that the naphthopyran-based molecule is a good candidate for optical molecular switches and will be useful in the near future.

  1. Genetic diversity analysis of common beans based on molecular markers

    Directory of Open Access Journals (Sweden)

    Homar R. Gill-Langarica

    2011-01-01

    Full Text Available A core collection of the common bean (Phaseolus vulgaris L., representing genetic diversity in the entire Mexican holding, is kept at the INIFAP (Instituto Nacional de Investigaciones Forestales, Agricolas y Pecuarias, Mexico Germplasm Bank. After evaluation, the genetic structure of this collection (200 accessions was compared with that of landraces from the states of Oaxaca, Chiapas and Veracruz (10 genotypes from each, as well as a further 10 cultivars, by means of four amplified fragment length polymorphisms (AFLP +3/+3 primer combinations and seven simple sequence repeats (SSR loci, in order to define genetic diversity, variability and mutual relationships. Data underwent cluster (UPGMA and molecular variance (AMOVA analyses. AFLP analysis produced 530 bands (88.5% polymorphic while SSR primers amplified 174 alleles, all polymorphic (8.2 alleles per locus. AFLP indicated that the highest genetic diversity was to be found in ten commercial-seed classes from two major groups of accessions from Central Mexico and Chiapas, which seems to be an important center of diversity in the south. A third group included genotypes from Nueva Granada, Mesoamerica, Jalisco and Durango races. Here, SSR analysis indicated a reduced number of shared haplotypes among accessions, whereas the highest genetic components of AMOVA variation were found within accessions. Genetic diversity observed in the common-bean core collection represents an important sample of the total Phaseolus genetic variability at the main Germplasm Bank of INIFAP. Molecular marker strategies could contribute to a better understanding of the genetic structure of the core collection as well as to its improvement and validation.

  2. Clinicopathological and Molecular Histochemical Review of Skull Base Metastasis from Differentiated Thyroid Carcinoma

    International Nuclear Information System (INIS)

    Skull base metastasis from differentiated thyroid carcinoma including follicular thyroid carcinoma (FTC) and papillary thyroid carcinoma (PTC) is a rare clinical entity. Eighteen FTC cases and 10 PTC cases showing skull base metastasis have been reported. The most common symptom of skull base metastasis from FTC and PTC is cranial nerve dysfunction. Bone destruction and local invasion to the surrounding soft tissues are common on radiological imaging. Skull base metastases can be the initial clinical presentation of FTC and PTC in the presence of silent primary sites. The possibility of skull base metastasis from FTC and PTC should be considered in patients with the clinical symptoms of cranial nerve dysfunction and radiological findings of bone destruction. A variety of genetic alterations in thyroid tumors have been identified to have a fundamental role in their tumorigenesis. Molecular histochemical studies are useful for elucidating the histopathological features of thyroid carcinoma. Recent molecular findings may provide novel molecular-based treatment strategies for thyroid carcinoma

  3. Análisis molecular de la proteína P67PHOX del sistema NADPH oxidasa utilizando el sistema COX-PHOX

    Directory of Open Access Journals (Sweden)

    Pablo Javier Patiño Grajales

    2003-01-01

    Full Text Available El sistema NADPH oxidasa de las células fagocíticas tiene un papel central para la función antimicrobiana de dichas células. La activación de este sistema está presidida por la translocación de las proteínas citosólicas p67phox, p47phox y p40phox hacia la membrana para ponerse en contacto con el flavocitocromo b558, induciendo de esta manera la generación de anión superóxido, un precursor de agentes microbicidas oxidantes. En el presente trabajo presentamos una aproximación al estudio molecular del sistema NADPH oxidasa basados en los hallazgos de mutaciones en el gen de la p67phox de pacientes con EGC y algunos posibles polimorfismos encontrados en individuos sanos.

  4. Tip-induced gating of molecular levels in carbene-based junctions.

    Science.gov (United States)

    Foti, Giuseppe; Vázquez, Héctor

    2016-03-29

    We study the conductance of N-heterocyclic carbene-based (NHC) molecules on gold by means of first-principles calculations based on density-functional theory and non-equilibrium Green's functions. We consider several tip structures and find a strong dependence of the position of the NHC molecular levels with the atomistic structure of the tip. The position of the lowest unoccupied molecular orbital (LUMO) can change by almost 0.8 eV with tip shape. Through an analysis of the net charge transfer, electron redistribution and work function for each tip structure, we rationalize the LUMO shifts in terms of the sum of the work function and the maximum electrostatic potential arising from charge rearrangement. These differences in the LUMO position, effectively gating the molecular levels, result in large conductance variations. These findings open the way to modulating the conductance of NHC-based molecular circuits through the controlled design of the tip atomistic structure. PMID:26891059

  5. A new graph-based molecular descriptor using the canonical representation of the molecule.

    Science.gov (United States)

    Hentabli, Hamza; Saeed, Faisal; Abdo, Ammar; Salim, Naomie

    2014-01-01

    Molecular similarity is a pervasive concept in drug design. The basic idea underlying molecular similarity is the similar property principle, which states that structurally similar molecules will exhibit similar physicochemical and biological properties. In this paper, a new graph-based molecular descriptor (GBMD) is introduced. The GBMD is a new method of obtaining a rough description of 2D molecular structure in textual form based on the canonical representations of the molecule outline shape and it allows rigorous structure specification using small and natural grammars. Simulated virtual screening experiments with the MDDR database show clearly the superiority of the graph-based descriptor compared to many standard descriptors (ALOGP, MACCS, EPFP4, CDKFP, PCFP, and SMILE) using the Tanimoto coefficient (TAN) and the basic local alignment search tool (BLAST) when searches were carried. PMID:25140330

  6. Base Molecular del asesoramiento genético de fibrosis quística

    OpenAIRE

    Muñoz Domínguez, Carlos

    1997-01-01

    La Fibrosis Quística (FQ) es una enfermedad autosómica recesiva producida por mutaciones en el gen CFTR. Dicho gen produce una proteína (CFTR) implicada en el transporte de iones Cl- a través de la membrana plasmática. La alteración ... La consecuencia de estas secreciones afecta principalmente a pulmones, páncreas exocrino, aparato reproductor masculino y glándulas sudoríparas, provocando un cuadro clínico muy variable de unos pacientes a otros. Tanto la elevada concentración iónica en el su...

  7. Bases moleculares de la fitorremediación de hidrocarburos totales del petróleo

    OpenAIRE

    Julián Mario Peña-Castro; Blanca Estela Barrera-Figueroa; Roberto Ruiz-Medrano; Beatriz Xoconostle-Cázares

    2006-01-01

    La fitorremediación es una biotecnología que ha demostrado su utilidad en la recuperación de suelos contaminados con hidrocarburos totales de petróleo (HTP) en diversas pruebas de campo. A pesar de sus ventajas, es importante entender los mecanismos biológicos que la sustentan. En este trabajo, se revisa la literatura publicada recientemente sobre los mecanismos investigados de la fitorremediación de HTP: el efecto de la rizosfera, la estimulación de genotipos bacterianos con propiedades para...

  8. La comunidad como base territorial de gobernabilidad para la municipalización del Distrito Capital

    Directory of Open Access Journals (Sweden)

    Roberto J. Uzcátegui M.

    2014-01-01

    Full Text Available Dada la existencia de serios y complejos problemas para la mejora de la calidad de vida con base en el desarrollo sostenible de la ciudad de Caracas, se hace necesario plantear una reordenación del territorio que comience por evaluar cómo se estructura la división político territorial existente actualmente. Esta estructura político territorial es cuestionada muchas veces en todas sus jerarquías de poder por la presencia de una crisis de gobernabilidad. La gobernabilidad implica que los entes que ejercen el poder logren responder a las necesidades sociales como se desea, unas necesidades sociales que difieren de lugar en lugar pero que se rigen por un marco microterritorial bien definido en el ideal de las comunidades, pero mal delimitados en el ideal de los ámbitos hasta donde se ejerce el poder como carta aval para la gestión integral.

  9. El lenguaje taurino como base semántica del español actual

    OpenAIRE

    Luque Toro, Luis

    2016-01-01

    La conferencia versa sobre una investigación sobre la base taurina en el español cotidiano. Para ello se han tomado distintos léxico o unidades léxicas de uso en la lengua actual. El núcleo de esta conferencia ha sido el determinar distintos aspectos morfosintácticos y léxico semánticos del habla, entre los que se ha insistido y hecho hincapié en las acepciones, la formación de palabras y principalmente la metáfora. Una conclusión preliminar y una reflexión central de esta c...

  10. Genetic diversity and population structure in Physalis peruviana and related taxa based on InDels and SNPs derived from COSII and IRG markers

    Science.gov (United States)

    Garzón-Martínez, Gina A.; Osorio-Guarín, Jaime A.; Delgadillo-Durán, Paola; Mayorga, Franklin; Enciso-Rodríguez, Felix E.; Landsman, David

    2015-01-01

    The genus Physalis is common in the Americas and includes several economically important species, among them Physalis peruviana that produces appetizing edible fruits. We studied the genetic diversity and population structure of P. peruviana and characterized 47 accessions of this species along with 13 accessions of related taxa consisting of 222 individuals from the Colombian Corporation of Agricultural Research (CORPOICA) germplasm collection, using Conserved Orthologous Sequences (COSII) and Immunity Related Genes (IRGs). In addition, 642 Single Nucleotide Polymorphism (SNPs) markers were identified and used for the genetic diversity analysis. A total of 121 alleles were detected in 24 InDels loci ranging from 2 to 9 alleles per locus, with an average of 5.04 alleles per locus. The average number of alleles in the SNP markers was two. The observed heterozygosity for P. peruviana with InDel and SNP markers was higher (0.48 and 0.59) than the expected heterozygosity (0.30 and 0.41). Interestingly, the observed heterozygosity in related taxa (0.4 and 0.12) was lower than the expected heterozygosity (0.59 and 0.25). The coefficient of population differentiation FST was 0.143 (InDels) and 0.038 (SNPs), showing a relatively low level of genetic differentiation among P. peruviana and related taxa. Higher levels of genetic variation were instead observed within populations based on the AMOVA analysis. Population structure analysis supported the presence of two main groups and PCA analysis based on SNP markers revealed two distinct clusters in the P. peruviana accessions corresponding to their state of cultivation. In this study, we identified molecular markers useful to detect genetic variation in Physalis germplasm for assisting conservation and crossbreeding strategies. PMID:26550601

  11. Diagnóstico y clasificación molecular del virus BK en receptores de trasplante renal

    OpenAIRE

    Riva, Omar; Cobos, Marisa; Clemente, J

    2010-01-01

    La infección primaria por virus BK ocurre durante la infancia permaneciendo latente en el tracto urogenital. En individuos que presentan alteraciones en la inmunidad celular, el virus se reactiva haciendo posible su detección en orina y sangre. En receptores de trasplante renal, la nefropatía producida por el virus BK puede llevar a la pérdida de la función del injerto. El virus BK es miembro de la familia Polyomaviridae, presenta un genoma de ADN circular doble cadena unido en forma covalent...

  12. Identificación de mecanismos moleculares asociados al desarrollo del hipotiroidismo causado por shock séptico

    OpenAIRE

    Castro Piedras, Isabel

    2016-01-01

    Los pacientes con sepsis presentan alteraciones en los niveles séricos y metabolismo de las hormonas tiroideas, que se caracterizan por un descenso de la triyodotironina o T3, elevación de la reversa de la T3 o rT3, niveles normales o bajos de tiroxina o T4 y niveles inapropiadamente normales o bajos de la tirotropina o TSH. A este fenómeno se le conoce universalmente como “Síndrome de la enfermedad no tiroidea” (NTIS, del inglés: Nonthyroidal illness syndrome), aunque nosotros preferimos el ...

  13. Genetica del trigo. Los cereales. Biología Molecular e Ingeniería Genética

    OpenAIRE

    García Olmedo, Francisco; Sanchez Monge, Enrique

    1986-01-01

    El presente artículo revisa sucintamente un conjunto de investigaciones sobre los cereales, realizadas en el Departamento de Bioquímica de la E.T.S. de Ingenieros Agrónomos de la Universidad Politécnica de Madrid. En dichas investigaciones se han utilizado técnicas bioquímicas, citogenéticas y de ingeniería genética para el conocimiento básico y la manipulación práctica del conjunto de especies cultivadas denominadas cereales. Los estudios realizados han abarcado los siguientes aspectos princ...

  14. Structural and thermodynamic bases for the design of pure prolactin receptor antagonists: X-ray structure of Del1-9-G129R-hPRL

    DEFF Research Database (Denmark)

    Jomain, Jean-Baptiste; Tallet, Estelle; Broutin, Isabelle; Hoos, Sylviane; van Agthoven, Jan; Ducruix, Arnaud; Kelly, Paul A; Kragelund, Birthe B; England, Patrick; Goffin, Vincent

    2007-01-01

    antagonist. We determined the crystallographic structure of Del1-9-G129R-hPRL, which revealed no major change compared with wild type hPRL, indicating that its pure antagonistic properties are intrinsically due to the mutations. To decipher the molecular bases of pure antagonism, we compared the biological......, physicochemical, and structural properties of numerous hPRL variants harboring N-terminal or Gly(129) mutations, alone or combined. The pure versus partial antagonistic properties of the multiple hPRL variants could not be correlated to differences in their affinities toward the hPRL receptor, especially at site...... 2 as determined by surface plasmon resonance. On the contrary, residual agonism of the hPRL variants was found to be inversely correlated to their thermodynamic stability, which was altered by all the Gly(129) mutations but not by those involving the N terminus. We therefore propose that residual...

  15. Tetracycline selective electrode based on molecularly imprinted polymer particles

    Institute of Scientific and Technical Information of China (English)

    Zhi Yong Guo; Pan Pan Gai; Jing Duan; Hui Na Zhang; Sui Wang

    2010-01-01

    Tetracycline selective electrode using molecularly imprinted polymer particles as quasi-ionophore was constructed the first time,and its performance was carefully characterized.Due to the specific recognition of tetracycline by the particles,the selectivity coefficients for routine interferences were less than 10-4.Benefited from the absence of tetracycline in the sensitive membrane and the optimized composition of the inner filling solution,the limit of detection of the electrode was reduced to about 2.5 × 10-8 mol/L.It exhibited a good electrode slope 57.6 mV/decade near the theoretical Nernstian one,with a wide linear working range from6.0 × 10-8 to 1.0 × 10-3 mol/L.The fabricated electrode should be used in pH 2-4,response time of which was less than 200 s when the concentration of tetracycline was higher than 1.0 × 10-6 mol/L and no more than 30 min at the concentration of1.0 × 10-8 mol/L.

  16. Molecular self assembly on optical fiber-based fluorescence sensor

    Science.gov (United States)

    Ayyagari, Madhu S. R.; Gao, Harry H.; Bihari, Bipin; Chittibabu, Kethinni G.; Kumar, Jayant; Marx, Kenneth A.; Kaplan, David L.; Tripathy, Sukant K.

    1994-03-01

    We discuss the molecular self-assembly on optical fibers in which a novel method for protein attachment to the sensing tip of the fiber is used. Our objective is to assemble a conjugated polythiophene copolymer as an attachment vehicle. Subsequent attachment of the photodynamic phycobiliprotein serves as the fluorescence probe element. Following our earlier experiments from Langmuir-Blodgett deposition of these polymeric materials as thin films on glass substrates, we extended the technique to optical fibers. First, the bare fiber surface is silanized with a C18 silane compound. The copolymer (3-undecylthiophene-co-3- methanolthiophene, biotinylated at the methanol moiety) assembly on the fiber is carried out presumable through van der Waals interactions between the hydrophobic fiber surface and the undecyl alkyl chains on the polymer backbone. A conjugated Str-PE (streptavidin covalently attached to phycoerythrin) complex is then attached to the copolymer via the conventional biotin-streptavidin interaction. The conjugated polymer not only supports the protein but, in principle, may help to transduce the signal generated by phycoerythrin to the fiber. Our results from fluorescence intensity measurements proved the efficacy of this system. An improved methodology is also sought to more strongly attach the conjugated copolymer to the fiber surface, and a covalent scheme is developed to polymerize and biotinylate polythiophene in situ on the fiber surface.

  17. VIGENCIA DEL DOGMA DE LA IRRESPONSABILIDAD DEL ESTADO LEGISLADOR EN EL ESTADO CONSTITUCIONAL DE DERECHO. ENSAYANDO BASES PARA UNA TEORÍA SOBRE LA RESPONSABILIDAD PATRIMONIAL DEL ESTADO LEGISLADOR

    Directory of Open Access Journals (Sweden)

    J. Ignacio Núñez Leiva

    2011-01-01

    Full Text Available El presente trabajo contextualiza la figura de la responsabilidad patrimonial del Estado legislador en las teorías del Derecho elaboradas al amparo del constitucionalismo contemporáneo. Sugiere que la Teoría del Derecho en su estado actual configura un espacio fértil para la procedencia del instituto reparatorio por hechos dañosos del legislador.

  18. Filogenética Molecular de Peces del Complejo Midas Cichlidae que habitan lagos y lagunas de Nicaragua, utilizando el gen COI

    Directory of Open Access Journals (Sweden)

    Lucía Páiz-Medina

    2012-12-01

    Full Text Available Las lagunas cratéricas de Nicaragua se consideran verdaderos "laboratorios" naturales de investigación debido a que son geológicamente jóvenes y por su pequeña dimensión, lo que permite el estudio de procesos evolutivos y de especiación. En estas lagunas se encuentran especies endémicas (familia Cichlidae que representan recursos valiosos para estudios de especiación, incluyendo la velocidad y fuerzas con las que el aislamiento geográfico, la selección natural y sexual provocan la diversificación fenotípica y, finalmente, la especiación misma. Los peces de la familia Cichlidae han sido objeto de mucha controversia debido a que morfológicamente es difícil diferenciarlos y se requieren de nuevas herramientas moleculares para descifrar las diferencias a nivel genético y entender mejor los procesos de especiación de este fascinante grupo de peces. En este estudio se utilizó el gen Citocromo Oxidasa I, COI, para determinar las relaciones filogenéticas entre los peces del Complejo presente en lagos y lagunas de Nicaragua. El COI ha sido propuesto como "código de barras" genético y como técnica ha sido estandarizada para animales. Este trabajo es parte de una investigación más grande que se enmarca en el Proyecto "DNA Barcoding de la biodiversidad nicaragüense" y se realiza en el Centro de Biología Molecular de la Universidad Centroamericana. Con este estudio se ha logrado determinar que: (1 el gen COI discrimina entre especies de diferentes lagunas, (2 las relaciones entre las especies Midas Cichlidae son complejas y es necesario más de un gen para obtener resultados concluyentes, (3 las especies fundadoras de las lagunas cratéricas provienen del lago de Nicaragua, (4 en las lagunas habitan más de una especie del Complejo Midas Cichlidae y (5 se infiere que la especiación simpátrica es el mecanismo evolutivo que ha conducido a la creación de estas especies, confirmando la hipótesis de otros autores y aportando nuevos

  19. [Molecular engineering of cellulase catalytic domain based on glycoside hydrolase family].

    Science.gov (United States)

    Zhang, Xiaomei; Li, Dandan; Wang, Lushan; Zhao, Yue; Chen, Guanjun

    2013-04-01

    Molecular engineering of cellulases can improve enzymatic activity and efficiency. Recently, the Carbohydrate-Active enZYmes Database (CAZy), including glycoside hydrolase (GH) families, has been established with the development of Omics and structural measurement technologies. Molecular engineering based on GH families can obviously decrease the probing space of target sequences and structures, and increase the odds of experimental success. Besides, the study of cellulase active-site architecture paves the way toward the explanation of catalytic mechanism. This review focuses on the main GH families and the latest progresses in molecular engineering of catalytic domain. Based on the combination of analysis of a large amount of data in the same GH family and their conservative active-site architecture information, rational design will be an important direction for molecular engineering and promote the rapid development of the conversion of biomass. PMID:23894816

  20. Large magnetoresistance of paracyclophane-based molecular tunnel junctions: A first-principles study

    Energy Technology Data Exchange (ETDEWEB)

    Tao, L. L.; Liang, S. H.; Liu, D. P.; Han, X. F., E-mail: xfhan@iphy.ac.cn [Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190 (China)

    2013-12-07

    We report a theoretical study of magnetoresistance and spin-polarized transport of a series of paracyclophane-based molecular tunnel junctions. We predict that the molecular tunnel junction using [2.2]-paracyclophane barrier has the desired low resistance area product in combination with high magnetoresistance ratio. In addition, we find the spin-polarized conductance decreases exponentially with increasing the molecular length, indicating a nonresonant tunneling mechanism. In particular, the characteristic decay constant can be theoretically evaluated from the complex band structure of periodic paracyclophane molecule. The spin-polarized transport mechanism is systematically analyzed.

  1. Large magnetoresistance of paracyclophane-based molecular tunnel junctions: A first-principles study

    International Nuclear Information System (INIS)

    We report a theoretical study of magnetoresistance and spin-polarized transport of a series of paracyclophane-based molecular tunnel junctions. We predict that the molecular tunnel junction using [2.2]-paracyclophane barrier has the desired low resistance area product in combination with high magnetoresistance ratio. In addition, we find the spin-polarized conductance decreases exponentially with increasing the molecular length, indicating a nonresonant tunneling mechanism. In particular, the characteristic decay constant can be theoretically evaluated from the complex band structure of periodic paracyclophane molecule. The spin-polarized transport mechanism is systematically analyzed

  2. A 3-base pair deletion, c.9711_9713del, in DMD results in intellectual disability without muscular dystrophy

    NARCIS (Netherlands)

    de Brouwer, Arjan P. M.; Nabuurs, Sander B.; Verhaart, Ingrid E. C.; Oudakker, Astrid R.; Hordijk, Roel; Yntema, Helger G.; Hordijk-Hos, Jannet M.; Voesenek, Krysta; de Vries, Bert B. A.; van Essen, Ton; Chen, Wei; Hu, Hao; Chelly, Jamel; den Dunnen, Johan T.; Kalscheuer, Vera M.; Aartsma-Rus, Annemieke M.; Hamel, Ben C. J.; van Bokhoven, Hans; Kleefstra, Tjitske

    2014-01-01

    We have identified a deletion of 3 base pairs in the dystrophin gene (DMD), c.9711_9713del, in a family with nonspecific X-linked intellectual disability (ID) by sequencing of the exons of 86 known X-linked ID genes. This in-frame deletion results in the deletion of a single-amino-acid residue, Leu3

  3. Foraging on the potential energy surface: A swarm intelligence-based optimizer for molecular geometry

    Science.gov (United States)

    Wehmeyer, Christoph; Falk von Rudorff, Guido; Wolf, Sebastian; Kabbe, Gabriel; Schärf, Daniel; Kühne, Thomas D.; Sebastiani, Daniel

    2012-11-01

    We present a stochastic, swarm intelligence-based optimization algorithm for the prediction of global minima on potential energy surfaces of molecular cluster structures. Our optimization approach is a modification of the artificial bee colony (ABC) algorithm which is inspired by the foraging behavior of honey bees. We apply our modified ABC algorithm to the problem of global geometry optimization of molecular cluster structures and show its performance for clusters with 2-57 particles and different interatomic interaction potentials.

  4. Molecular phylogeny of Toxoplasmatinae: comparison between inferences based on mitochondrial and apicoplast genetic sequences

    OpenAIRE

    Michelle Klein Sercundes; Samantha Yuri Oshiro Branco Valadas; Lara Borges Keid; Tricia Maria Ferreira Souza Oliveira; Helena Lage Ferreira; Ricardo Wagner Almeida Vitor; Fábio Gregori; Rodrigo Martins Soares

    2016-01-01

    Abstract Phylogenies within Toxoplasmatinae have been widely investigated with different molecular markers. Here, we studied molecular phylogenies of the Toxoplasmatinae subfamily based on apicoplast and mitochondrial genes. Partial sequences of apicoplast genes coding for caseinolytic protease (clpC) and beta subunit of RNA polymerase (rpoB), and mitochondrial gene coding for cytochrome B (cytB) were analyzed. Laboratory-adapted strains of the closely related parasites Sarcocystis falcatula ...

  5. La economía del conocimiento como base del crecimiento económico en México

    Directory of Open Access Journals (Sweden)

    Humberto Ríos

    2011-05-01

    Full Text Available Este artículo plantea la importancia de la economía del conocimiento (EC en el crecimiento económico delargo plazo en México. Se afirma que la inversión sostenida en educación, innovación y tecnologías de la información,conducirá a un aumento en el uso y creación de conocimiento en la producción económica, dando lugar al crecimientoeconómico sostenido en las 32 entidades federativas de México. En función de este marco teórico, se realiza un análisisde las variables que integran la EC en el periodo 2000 a 2007: alfabetismo, educación media superior y superior,investigación, telefonía, internet y computadoras. Así, se construye un índice de conocimiento para cada estado en elperiodo de estudio. Finalmente, utilizando herramientas econométricas en modelos de panel, se perfila el impactoque el índice de conocimiento en conjunto con la formación bruta de capital fijo, tienen en la acumulación de riquezanacional y por entidad federativa.

  6. Scope of Tunnel Junction Based Molecular Electronics and Spintronics Devices

    OpenAIRE

    Tyagi, Pawan; Friebe, Edwards; Baker, Collin

    2014-01-01

    Scope of molecule based devices may govern the advancement of the next generation logic and memory devices. Molecules have the potential to be unmatched device elements as chemists can mass produce an endless variety of molecules with novel optical, magnetic, and charge transport characteristics. However, the biggest challenge is to connect two metal leads to a target molecule(s) and develop a robust and versatile device fabrication technology that can be adopted for commercial scale mass pro...

  7. Molecular Engineering of Technetium and Rhenium Based Radiopharmaceuticals

    International Nuclear Information System (INIS)

    The research was based on the observation that despite the extraordinarily rich coordination chemistry of technetium and rhenium and several notable successes in reagent design, the extensive investigations by numerous research groups on a variety of N2S2 and N3S donor type ligands and on HYNIC have revealed that the chemistries of these ligands with Tc and Re are rather complex, giving rise to considerable difficulties in the development of reliable procedures for the development of radiopharmaceutical reagents

  8. Knowledge-Based Optimization of Molecular Geometries Using Crystal Structures.

    Science.gov (United States)

    Cole, Jason C; Groom, Colin R; Korb, Oliver; McCabe, Patrick; Shields, Gregory P

    2016-04-25

    This paper describes a novel way to use the structural information contained in the Cambridge Structural Database (CSD) to drive geometry optimization of organic molecules. We describe how CSD structural information is transformed into objective functions for gradient-based optimization to provide good quality geometries for a large variety of organic molecules. Performance is assessed by minimizing different sets of organic molecules reporting RMSD movements for bond lengths, valence angles, torsion angles, and heavy atom positions. PMID:26977906

  9. Equivalent electric circuit of a carbon nanotube based molecular conductor

    CERN Document Server

    Yam, ChiYung; Wang, Fan; Li, Xiaobo; Chen, GuanHua; Zheng, Xiao; Matsuda, Yuki; Tahir-Kheli, Jamil; Goddard, William A

    2008-01-01

    We apply our first-principles method to simulate the transient electrical response through carbon nanotube based conductors under time-dependent bias voltages, and report the dynamic conductance for a specific system. We find that the electrical response of the carbon nanotube device can be mapped onto an equivalent classical electric circuit. This is confirmed by studying the electric response of a simple model system and its equivalent circuit.

  10. Molecular bases of circadian rhythmicity in renal physiology and pathology

    OpenAIRE

    Bonny, Olivier; Vinciguerra, Manlio; Gumz, Michelle L.; Mazzoccoli, Gianluigi

    2013-01-01

    The physiological processes that maintain body homeostasis oscillate during the day. Diurnal changes characterize kidney functions, comprising regulation of hydro-electrolytic and acid-base balance, reabsorption of small solutes and hormone production. Renal physiology is characterized by 24-h periodicity and contributes to circadian variability of blood pressure levels, related as well to nychthemeral changes of sodium sensitivity, physical activity, vascular tone, autonomic function and neu...

  11. Molecular Phylogenetic: Organism Taxonomy Method Based on Evolution History

    OpenAIRE

    N.L.P Indi Dharmayanti

    2011-01-01

    Phylogenetic is described as taxonomy classification of an organism based on its evolution history namely its phylogeny and as a part of systematic science that has objective to determine phylogeny of organism according to its characteristic. Phylogenetic analysis from amino acid and protein usually became important area in sequence analysis. Phylogenetic analysis can be used to follow the rapid change of a species such as virus. The phylogenetic evolution tree is a two dimensional of a spec...

  12. iBarcode.org: web-based molecular biodiversity analysis

    OpenAIRE

    Hajibabaei Mehrdad; Singer Gregory AC

    2009-01-01

    Abstract Background DNA sequences have become a primary source of information in biodiversity analysis. For example, short standardized species-specific genomic regions, DNA barcodes, are being used as a global standard for species identification and biodiversity studies. Most DNA barcodes are being generated by laboratories that have an expertise in DNA sequencing but not in bioinformatics data analysis. Therefore, we have developed a web-based suite of tools to help the DNA barcode research...

  13. TARGET-ORIENTED GENERIC FINGERPRINT-BASED MOLECULAR REPRESENTATION

    OpenAIRE

    Petr Skoda; David Hoksza

    2014-01-01

    The screening of chemical libraries is an important step in the drug discovery process. The existing chemical libraries contain up to millions of compounds. As the screening at such scale is expensive, the virtual screening is often utilized. There exist several variants of virtual screening and ligand-based virtual screening is one of them. It utilizes the similarity of screened chemical compounds to known compounds. Besides the employed similarity measure, another aspect grea...

  14. DNA Based Carbon Nanotube Porphyrin Nanohybrids Molecular Recognization and Regeneration

    OpenAIRE

    Riccitelli, Molly M; Zhang, Hanyu; Choi, Jong Hyun

    2013-01-01

    In the search to improve solar cells, scientists are exploring new materials that will provide better current transfer. One material that has emerged as a strong contender is the single walled carbon nanotube (SWNT). Current DNA-SWNT based films combined with chromophores have poor operational lifetimes compared to commercial solar cells. Once exposed to light the chromophore begins to degrade, eventually rendering the solar cell unusable. To solve this problem, we used a method involving mul...

  15. Molecular engineering of manipulated alginate-based polyurethanes.

    Science.gov (United States)

    Daemi, Hamed; Barikani, Mehdi

    2014-11-01

    The novel soluble alginate-based polyurethanes in organic solvents were synthesized by the reaction of NCO-terminated prepolymers and tributylammonium alginate (TBA-Alg) for the first time. The chemical structures of synthesized polyurethanes were characterized using FTIR, (1)H NMR and TGA. The reaction completion was confirmed by disappearing of NCO band in FTIR spectra. Furthermore, a peak at 4.71 ppm and some small peaks at a range of 4.12-4.37 ppm in the (1)H NMR of alginate-based polyurethanes were assigned to the backbone of alginate. The results of both FTIR and (1)H NMR were remarkably confirmed by TGA data. The ionic nature of polyurethane backbone not only affects on thermal properties of samples, but it also changes the chemically-bonded alginate morphology. Both polyether and polyester based non-ionic polyurethanes extended by TBA-Alg illustrated the distinct alginate, whereas those ionomers extended by alginate were appeared as the continuous systems at nanoscale. PMID:25129793

  16. The formation of ZnO-based coatings from solutions containing high-molecular polyvinylpyrrolidone

    Science.gov (United States)

    Evstrop'ev, S. K.; Soshnikov, I. P.; Khrebtov, A. I.

    2016-05-01

    A method for deposition of transparent nanosize ZnO-based coatings on the glass surface from solutions containing high-molecular polyvinylpyrrolidone is described. The method can be used to form transparent homogeneous coatings based on ZnO with an increased energy gap width. It does not require any intricate technological equipment.

  17. Molecular dynamics simulation study on capacitive nano-accelerometers based on telescoping carbon nanotubes

    International Nuclear Information System (INIS)

    We investigated the characteristics of a capacitive nano-accelerometer based on a telescoping carbon nanotube by means of classical molecular dynamics simulations. The position of the telescoping nanotube was controlled by an externally applied force, and feedback sensing was based on the capacitance change. The capacitance variations, which were almost linearly proportional to the applied acceleration, were monitored within an error tolerance

  18. Two-dimensional vibrational spectroscopy of rotaxane-based molecular machines.

    Science.gov (United States)

    Bodis, Pavol; Panman, Matthijs R; Bakker, Bert H; Mateo-Alonso, Aurelio; Prato, Maurizio; Buma, Wybren Jan; Brouwer, Albert M; Kay, Euan R; Leigh, David A; Woutersen, Sander

    2009-09-15

    It has recently become possible to synthesize mechanical devices the size of a single molecule. Although it is tempting to regard such molecular machines as nanoscale versions of their macroscopic analogs, many notions from macroscopic mechanics no longer apply at a molecular level. For instance, the concept of viscous friction is meaningless for a molecular machine because the size of the solvent molecules that cause the friction is comparable to that of the machine itself. Furthermore, in many cases, the interactions between a molecular machine and its surroundings are comparable to the force driving the machine. As a result, a certain amount of intrinsic randomness exists in the motion of molecular machines, and the details of their mechanics are largely unknown. For a detailed understanding of the mechanical behavior of molecular machines, experiments that probe their motion on an ultrafast time scale, such as two-dimensional (2D) vibrational spectroscopy, are essential. This method uses coupling between vibrational modes in a molecule to investigate the molecular conformation. The coupling shows up as off-diagonal peaks in a 2D graph of the vibrational response of the molecule, analogous to the spin coupling observed in multidimensional NMR spectroscopy. Both spin coupling and vibrational coupling are sensitive probes of the molecular conformation, but 2D vibrational spectroscopy shows orders of magnitude better time resolution than NMR. In this Account, we use 2D vibrational spectroscopy to study molecular machines based on rotaxanes. These devices consist of a linear thread and a macrocycle that is noncovalently locked onto the thread. In the rotaxanes we study, the macrocycle and the thread both contain CO and NH groups. By determining the coupling between the stretching modes of these goups from the cross peaks in the 2D spectrum, we directly and quantitatively probe the relative position and orientation of the macrocycle and the thread for both a small

  19. Next-Generation Sequencing-Based Molecular Diagnosis of Choroideremia

    Directory of Open Access Journals (Sweden)

    Kayo Shimizu

    2015-07-01

    Full Text Available We screened patients with choroideremia using next-generation sequencing (NGS and identified a novel mutation and a known mutation in the CHM gene. One patient presented an atypical fundus appearance for choroideremia. Another patient presented macular hole retinal detachment in the left eye. The present case series shows the utility of NGS-based screening in patients with choroideremia. In addition, the presence of macular hole in 1 of the 2 patients, together with a previous report, indicated the susceptibility of patients with choroideremia to macular hole.

  20. Polarization conversion-based molecular sensing using anisotropic plasmonic metasurfaces

    Science.gov (United States)

    Verre, R.; Maccaferri, N.; Fleischer, K.; Svedendahl, M.; Odebo Länk, N.; Dmitriev, A.; Vavassori, P.; Shvets, I. V.; Käll, M.

    2016-05-01

    Anisotropic media induce changes in the polarization state of transmitted and reflected light. Here we combine this effect with the refractive index sensitivity typical of plasmonic nanoparticles to experimentally demonstrate self-referenced single wavelength refractometric sensing based on polarization conversion. We fabricated anisotropic plasmonic metasurfaces composed of gold dimers and, as a proof of principle, measured the changes in the rotation of light polarization induced by biomolecular adsorption with a surface sensitivity of 0.2 ng cm-2. We demonstrate the possibility of miniaturized sensing and we show that experimental results can be reproduced by analytical theory. Various ways to increase the sensitivity and applicability of the sensing scheme are discussed.Anisotropic media induce changes in the polarization state of transmitted and reflected light. Here we combine this effect with the refractive index sensitivity typical of plasmonic nanoparticles to experimentally demonstrate self-referenced single wavelength refractometric sensing based on polarization conversion. We fabricated anisotropic plasmonic metasurfaces composed of gold dimers and, as a proof of principle, measured the changes in the rotation of light polarization induced by biomolecular adsorption with a surface sensitivity of 0.2 ng cm-2. We demonstrate the possibility of miniaturized sensing and we show that experimental results can be reproduced by analytical theory. Various ways to increase the sensitivity and applicability of the sensing scheme are discussed. Electronic supplementary information (ESI) available. See DOI: 10.1039/c6nr01336h

  1. Manganese-Based Molecular Electrocatalysts for Oxidation of Hydrogen

    Energy Technology Data Exchange (ETDEWEB)

    Hulley, Elliott; Kumar, Neeraj; Raugei, Simone; Bullock, R. Morris

    2015-10-05

    Oxidation of H2 (1 atm) is catalyzed by the manganese electrocatalysts [(P2N2)MnI(CO)(bppm)]+ and [(PNP)MnI(CO)(bppm)]+ (P2N2= 1,5-dibenzyl-3,7-diphenyl-1,5-diaza-3,7-diphosphacyclooctane; PNP = (Ph2PCH2)2NMe); bppm = (PArF2)2CH2, and ArF = 3,5-(CF3)2C6H3). In fluorobenzene solvent using 2,6-lutidine as the exogeneous base, the turnover frequency for [(P2N2)MnI(CO)(bppm)]+ is 3.5 s-1 with an estimated overpotential of 590 mV. For [(PNP)MnI(CO)(bppm)], in fluorobenzene solvent using N-methylpyrrolidine as the exogeneous base, the turnover frequency is 1.4 s-1 with an estimated overpotential of 700 mV. Density functional theory calculations suggest that the slow step in the catalytic cycle is proton transfer from the oxidized 17-electron manganese hydride, e.g., [(P2N2)MnIIH(CO)(bppm)]+ to the pendant amine. The computed activation barrier for intramolecular proton transfer from the metal to the pendant amine is 20.4 kcal/mol in [(P2N2)MnIIH(CO)(bppm)]+ and 21.3 kcal/mol in [(PNP)MnI(CO)(bppm)]. The high barrier appears to result from both the unfavorability of metal-to-nitrogen proton transfer (thermodynamically uphill by 6.6 pKa units, 9 kcal/mol), as well as the relatively long manganese-nitrogen separation in the MnIIH complexes.

  2. High-molecular-weight polymers for protein crystallization: poly-γ-glutamic acid-based precipitants

    International Nuclear Information System (INIS)

    High-molecular-weight poly-γ-glutamic acid-based polymers have been synthesized, tested and adopted for protein crystallization. Protein crystallization has been revolutionized by the introduction of high-throughput technologies, which have led to a speeding up of the process while simultaneously reducing the amount of protein sample necessary. Nonetheless, the chemistry dimension of protein crystallization has remained relatively undeveloped. Most crystallization screens are based on the same set of precipitants. To address this shortcoming, the development of new protein precipitants based on poly-γ-glutamic acid (PGA) polymers with different molecular-weight ranges is reported here: PGA-LM (low molecular weight) of ∼400 kDa and PGA-HM (high molecular weight) of >1000 kDa. It is also demonstrated that protein precipitants can be expanded further to polymers with much higher molecular weight than those that are currently in use. Furthermore, the modification of PGA-like polymers by covalent attachments of glucosamine substantially improved their solubility without affecting their crystallization properties. Some preliminary PGA-based screens are presented here

  3. High-molecular-weight polymers for protein crystallization: poly-γ-glutamic acid-based precipitants

    Energy Technology Data Exchange (ETDEWEB)

    Hu, Ting-Chou [Department of Chemistry, University of York, York YO10 5YW (United Kingdom); Korczyńska, Justyna [Department of Chemistry, University of York, York YO10 5YW (United Kingdom); Structural Biology Laboratory, University of York, York YO10 5YW (United Kingdom); Smith, David K. [Department of Chemistry, University of York, York YO10 5YW (United Kingdom); Brzozowski, Andrzej Marek, E-mail: marek@ysbl.york.ac.uk [Department of Chemistry, University of York, York YO10 5YW (United Kingdom); Structural Biology Laboratory, University of York, York YO10 5YW (United Kingdom)

    2008-09-01

    High-molecular-weight poly-γ-glutamic acid-based polymers have been synthesized, tested and adopted for protein crystallization. Protein crystallization has been revolutionized by the introduction of high-throughput technologies, which have led to a speeding up of the process while simultaneously reducing the amount of protein sample necessary. Nonetheless, the chemistry dimension of protein crystallization has remained relatively undeveloped. Most crystallization screens are based on the same set of precipitants. To address this shortcoming, the development of new protein precipitants based on poly-γ-glutamic acid (PGA) polymers with different molecular-weight ranges is reported here: PGA-LM (low molecular weight) of ∼400 kDa and PGA-HM (high molecular weight) of >1000 kDa. It is also demonstrated that protein precipitants can be expanded further to polymers with much higher molecular weight than those that are currently in use. Furthermore, the modification of PGA-like polymers by covalent attachments of glucosamine substantially improved their solubility without affecting their crystallization properties. Some preliminary PGA-based screens are presented here.

  4. Molecular evidence of Burkholderia pseudomallei genotypes based on geographical distribution.

    Science.gov (United States)

    Zulkefli, Noorfatin Jihan; Mariappan, Vanitha; Vellasamy, Kumutha Malar; Chong, Chun Wie; Thong, Kwai Lin; Ponnampalavanar, Sasheela; Vadivelu, Jamuna; Teh, Cindy Shuan Ju

    2016-01-01

    Background. Central intermediary metabolism (CIM) in bacteria is defined as a set of metabolic biochemical reactions within a cell, which is essential for the cell to survive in response to environmental perturbations. The genes associated with CIM are commonly found in both pathogenic and non-pathogenic strains. As these genes are involved in vital metabolic processes of bacteria, we explored the efficiency of the genes in genotypic characterization of Burkholderia pseudomallei isolates, compared with the established pulsed-field gel electrophoresis (PFGE) and multilocus sequence typing (MLST) schemes. Methods. Nine previously sequenced B. pseudomallei isolates from Malaysia were characterized by PFGE, MLST and CIM genes. The isolates were later compared to the other 39 B. pseudomallei strains, retrieved from GenBank using both MLST and sequence analysis of CIM genes. UniFrac and hierachical clustering analyses were performed using the results generated by both MLST and sequence analysis of CIM genes. Results. Genetic relatedness of nine Malaysian B. pseudomallei isolates and the other 39 strains was investigated. The nine Malaysian isolates were subtyped into six PFGE profiles, four MLST profiles and five sequence types based on CIM genes alignment. All methods demonstrated the clonality of OB and CB as well as CMS and THE. However, PFGE showed less than 70% similarity between a pair of morphology variants, OS and OB. In contrast, OS was identical to the soil isolate, MARAN. To have a better understanding of the genetic diversity of B. pseudomallei worldwide, we further aligned the sequences of genes used in MLST and genes associated with CIM for the nine Malaysian isolates and 39 B. pseudomallei strains from NCBI database. Overall, based on the CIM genes, the strains were subtyped into 33 profiles where majority of the strains from Asian countries were clustered together. On the other hand, MLST resolved the isolates into 31 profiles which formed three clusters

  5. Highly selective molecular recognition and high throughput detection of melamine based on molecularly imprinted sol-gel film

    Energy Technology Data Exchange (ETDEWEB)

    Yu Jinghua, E-mail: cclj4ever@126.com [School of Chemistry and Chemical Engineering, University of Jinan, Jinan 250022 (China); Zhang Congcong; Dai Ping; Ge Shenguang [School of Chemistry and Chemical Engineering, University of Jinan, Jinan 250022 (China)

    2009-10-05

    Multimode reader has been generally applied in immunoassay, and in the proposed paper, the 96 well micro-plate was modified with molecularly imprinted melamine sol-gel film, based on which the highly selective and high throughput detection of melamine was achieved. Melamine was imprinted into silica sol-gel films directly using phenyltrimethoxysilane and methyltrimethoxysilane as functionalized organosilicon precursors. The binding characteristic of the imprinted film to melamine was evaluated by equilibrium binding experiments and the morphology was studied by scanning electronic microscope (SEM). Scatchard analysis was carried out to estimate the binding parameters of the imprinted film. The proposed method exhibited excellent selectivity because of specific recognition of MM by molecularly imprinted film. Under the optimum conditions, the chemiluminescence (CL) intensity had a linear relationship against the concentration of melamine over the range of 0.1-50 {mu}g mL{sup -1} with a lower detection limit of 0.02 {mu}g mL{sup -1}.

  6. Detecting Molecular Properties by Various Laser-Based Techniques

    Energy Technology Data Exchange (ETDEWEB)

    Hsin, Tse-Ming [Iowa State Univ., Ames, IA (United States)

    2007-01-01

    Four different laser-based techniques were applied to study physical and chemical characteristics of biomolecules and dye molecules. These techniques are liole burning spectroscopy, single molecule spectroscopy, time-resolved coherent anti-Stokes Raman spectroscopy and laser-induced fluorescence microscopy. Results from hole burning and single molecule spectroscopy suggested that two antenna states (C708 & C714) of photosystem I from cyanobacterium Synechocystis PCC 6803 are connected by effective energy transfer and the corresponding energy transfer time is ~6 ps. In addition, results from hole burning spectroscopy indicated that the chlorophyll dimer of the C714 state has a large distribution of the dimer geometry. Direct observation of vibrational peaks and evolution of coumarin 153 in the electronic excited state was demonstrated by using the fs/ps CARS, a variation of time-resolved coherent anti-Stokes Raman spectroscopy. In three different solvents, methanol, acetonitrile, and butanol, a vibration peak related to the stretch of the carbonyl group exhibits different relaxation dynamics. Laser-induced fluorescence microscopy, along with the biomimetic containers-liposomes, allows the measurement of the enzymatic activity of individual alkaline phosphatase from bovine intestinal mucosa without potential interferences from glass surfaces. The result showed a wide distribution of the enzyme reactivity. Protein structural variation is one of the major reasons that are responsible for this highly heterogeneous behavior.

  7. Molecular Phylogenetic: Organism Taxonomy Method Based on Evolution History

    Directory of Open Access Journals (Sweden)

    N.L.P Indi Dharmayanti

    2011-03-01

    Full Text Available Phylogenetic is described as taxonomy classification of an organism based on its evolution history namely its phylogeny and as a part of systematic science that has objective to determine phylogeny of organism according to its characteristic. Phylogenetic analysis from amino acid and protein usually became important area in sequence analysis. Phylogenetic analysis can be used to follow the rapid change of a species such as virus. The phylogenetic evolution tree is a two dimensional of a species graphic that shows relationship among organisms or particularly among their gene sequences. The sequence separation are referred as taxa (singular taxon that is defined as phylogenetically distinct units on the tree. The tree consists of outer branches or leaves that represents taxa and nodes and branch represent correlation among taxa. When the nucleotide sequence from two different organism are similar, they were inferred to be descended from common ancestor. There were three methods which were used in phylogenetic, namely (1 Maximum parsimony, (2 Distance, and (3 Maximum likehoood. Those methods generally are applied to construct the evolutionary tree or the best tree for determine sequence variation in group. Every method is usually used for different analysis and data.

  8. Recent advances in molecular electronics based on carbon nanotubes.

    Science.gov (United States)

    Bourgoin, Jean-Philippe; Campidelli, Stéphane; Chenevier, Pascale; Derycke, Vincent; Filoramo, Arianna; Goffman, Marcelo F

    2010-01-01

    Carbon nanotubes (CNTs) have exceptional physical properties that make them one of the most promising building blocks for future nanotechnologies. They may in particular play an important role in the development of innovative electronic devices in the fields of flexible electronics, ultra-high sensitivity sensors, high frequency electronics, opto-electronics, energy sources and nano-electromechanical systems (NEMS). Proofs of concept of several high performance devices already exist, usually at the single device level, but there remain many serious scientific issues to be solved before the viability of such routes can be evaluated. In particular, the main concern regards the controlled synthesis and positioning of nanotubes. In our opinion, truly innovative use of these nano-objects will come from: (i) the combination of some of their complementary physical properties, such as combining their electrical and mechanical properties, (ii) the combination of their properties with additional benefits coming from other molecules grafted on the nanotubes, and (iii) the use of chemically- or bio-directed self-assembly processes to allow the efficient combination of several devices into functional arrays or circuits. In this article, we outline the main issues concerning the development of carbon nanotubes based electronics applications and review our recent results in the field. PMID:21137718

  9. Molecular MRI based on hyper-polarized xenon

    International Nuclear Information System (INIS)

    Magnetic Resonance Imaging (MRI) has a high importance in medicine as it enables the observation of the organs inside the body without the use of radiative or invasive techniques. However it is known to suffer from poor sensitivity. To circumvent this limitation, a key solution resides in the use of hyper-polarized species. Among the entities with which we can drastically increase nuclear polarization, xenon has very specific properties through its interactions with its close environment that lead to a wide chemical shift bandwidth. The goal is thus to use it as a tracer. This PhD thesis focuses on the concept of 129Xe MRI-based sensors for the detection of biological events. In this approach, hyper-polarized xenon is vectorized to biological targets via functionalized host systems, and then localized thanks to fast dedicated MRI sequences. The conception and set-up of a spin-exchange optical pumping device is first described. Then studies about the interaction of the hyper-polarized noble gas with new cryptophanes susceptible to constitute powerful host molecules are detailed. Also the implementation of recent MRI sequences optimized for the transient character of the hyper-polarization and taking profit of the xenon in-out exchange is described. Applications of this approach for the detection of metallic ions and cellular receptors are studied. Finally, our first in vivo results on a small animal model are presented. (author)

  10. Electronic shift register memory based on molecular electron-transfer reactions

    International Nuclear Information System (INIS)

    The design of a shift register memory at the molecular level is described in detail. The memory elements are based on a chain of electron-transfer molecules incorporated on a very large scale integrated (VLSI) substrate, and the information is shifted by photoinduced electron-transfer reactions. The design requirements for such a system are discussed, and several realistic strategies for synthesizing these systems are presented. The immediate advantage of such a hybrid molecular/VLSI device would arise from the possible information storage density. The prospect of considerable savings of energy per bit processed also exists. This molecular shift register memory element design solves the conceptual problems associated with integrating molecular size components with larger (micron) size features on a chip

  11. Biomedical wellness monitoring system based upon molecular markers

    Science.gov (United States)

    Ingram, Whitney

    2012-06-01

    We wish to assist caretakers with a sensor monitoring systems for tracking the physiological changes of homealone patients. One goal is seeking biomarkers and modern imaging sensors like stochastic optical reconstruction microscopy (STORM), which has achieved visible imaging at the nano-scale range. Imaging techniques like STORM can be combined with a fluorescent functional marker in a system to capture the early transformation signs from wellness to illness. By exploiting both microscopic knowledge of genetic pre-disposition and the macroscopic influence of epigenetic factors we hope to target these changes remotely. We adopt dual spectral infrared imaging for blind source separation (BSS) to detect angiogenesis changes and use laser speckle imaging for hypertension blood flow monitoring. Our design hypothesis for the monitoring system is guided by the user-friendly, veteran-preferred "4-Non" principles (noninvasive, non-contact, non-tethered, non-stop-to-measure) and by the NIH's "4Ps" initiatives (predictive, personalized, preemptive, and participatory). We augment the potential storage system with the recent know-how of video Compressive Sampling (CSp) from surveillance cameras. In CSp only major changes are saved, which reduces the manpower cost of caretakers and medical analysts. This CSp algorithm is based on smart associative memory (AM) matrix storage: change features and detailed scenes are written by the outer-product and read by the inner product without the usual Harsh index for image searching. From this approach, we attempt to design an effective household monitoring approach to save healthcare costs and maintain the quality of life of seniors.

  12. Detección molecular del virus papiloma humano de alto riesgo oncogénico en muestras cervicales. Laboratorio Central de Salud Pública. Primeros Resultados

    Directory of Open Access Journals (Sweden)

    Maria Liz Bobadilla

    2015-04-01

    Full Text Available El cáncer de cuello uterino es la primera causa de muerte por cáncer en mujeres en países en vías de desarrollo, con una tasa de incidencia de 34,2 por 100.000 mujeres y de mortalidad de 15,7 por 100.000 mujeres en Paraguay. La sensibilidad de la citología está entre 30-60%, mientras que la de la detección molecular del Virus Papiloma Humano (VPH en muestras cervicales, es mayor al 90% para detectar neoplasia intraepitelial cervical de grado 2 (CIN II o más. El objetivo de este trabajo fue describir la frecuencia de detección de VPH de alto riesgo (AR y su distribución por edad en mujeres que concurrieron al Hospital San Pablo, de mayo a agosto de 2.013. Se estudiaron 170 muestras cervicales de pacientes que accedieron a participar firmando un consentimiento informado. Se utilizó el sistema Cobas 4800 HPV Test (Roche que detecta los VPH-AR 16 y 18, y un pool de 10 VPH-AR (31,33,35,39,45,51,52,56,58,59 y dos de “probable” alto riesgo (66,68. La frecuencia de infección por VPH-AR fue del 16%, la infección decrecía con la edad y el mayor número de casos apareció en mujeres menores de 30 años. El VPH-16 fue encontrado en todos los grupos de edades. Este es el primer reporte de la detección de ADN de VPH-AR en el LCSP, y se muestra que la prevención y control del cáncer cérvico-uterino es una prioridad de salud pública en el país por la gran carga de la enfermedad evidenciada por su alta incidencia y mortalidad.

  13. Molecular characterization of dominant bacterial population in “Vastedda della Valle del Belice” cheese: preliminary investigation

    Directory of Open Access Journals (Sweden)

    M. Todaro

    2010-04-01

    Full Text Available The sensory characteristics of raw-milk cheeses are linked to the cheese-making process, to the environmental factors as animal feeding and to the biochemical and microbiological composition of the milk. In this report we temped to characterize the microflora in the typical Sicilian historical cheese as Vastedda della valle del Belice. Each cheese was previous subjected to microbial isolation on specific media (M17 and MRS. The colony obtained on the solid medium were subject to biochemical tests and DNA extraction. The microbial diversity occurring in the strains was evaluated by PCR, RFLP and sequencing targeted on 16S ribosomal DNA. A number of closest relatives species of lactic and contaminating bacteria were identified in a total of 18 cheeses. The more represented genus were: Enterococcus, Streptococcus, Lactobacillus, Lactococcus and Pediococcus. Moreover it was found only one strain Lactococcus lactis for producing bacteriocines. The different bacteria species probably could play a key role in the maturation of the cheese. The preliminary obtained data show the optimized method is usefully to detect and characterize the bacteria having implications in the fermentation process as well as preservation of traditional products.

  14. Del discurso imperial a la Teoría del Contrapunto. Bases semiológicas para el diálogo entre civilizaciones en la obra de Edward Said

    OpenAIRE

    Cepedello Boiso, José

    2011-01-01

    En el presente artículo se exponen las ideas principales del pensador palestino Edward Said acerca de la posibilidad de establecer las bases para el diálogo intercultural, mediante la superación de los modelos semiológicos excluyentes, entre ellos, el ofrecido por el discurso hegemónico imperial. Frente a la teoría del enfrentamiento cultural entre estructuras hegemónicas irreconciliables, ofrecido por autores como Samuel P. Huntington en su teoría del choque de civilizacion...

  15. Medgeobase-Marruecos.Base de Datos Geográfica de ocupación del suelo en el litoral de Marruecos mediante teledetección.

    OpenAIRE

    Arozarena Villar, Antonio; del Bosque González, Isabel

    2001-01-01

    El proyecto MEDGEOBASE/MARRUECOS tiene como objetivo la formación de una Base de Datos geográfica sobre la ocupación del suelo con las especificaciones del sistema Corine Land Cover de la CE para la gestión del Medio Ambiente a lo largo del litoral de Marruecos entre Agadir y la frontera argelina con una superficie aproximada de 90.000 km2. Dicho proyecto ha sido confiado por parte de la Comunidad Europea a EUROMED.GEIE, Grupo Europeo de Interés Económico constituido en París el 25 de Jun...

  16. Gramática emocional: bases cognitivas y sociales del juicio moral

    OpenAIRE

    Tovar Bohórquez, José Oliverio

    2011-01-01

    El objetivo del presente trabajo es proponer un modelo que dé cuenta de la arquitectura psicológica del juicio moral. Es decir, se busca responder a la pregunta “¿cuáles son los procesos mentales que se llevan a cabo cuando una persona expresa un juicio moral?”. Para ello se realizan los siguientes pasos: en el primer capítulo se presentan algunos de los modelos con los que se ha intentado dar cuenta de la arquitectura psicológica del juicio moral. En el segundo se muestran algunas de las fal...

  17. Bases del Diseño y la Innovación Curricular en la Actividad Física y el Deporte. Tema 1 (curso 2012-2013)

    OpenAIRE

    Blasco Mira, Josefa Eugenia

    2012-01-01

    El documento presenta los contenidos resumidos correspondientes al tema 1, Las ciencias de la actividad física y el deporte como ámbito de conocimiento, del programa de la asignatura Bases del Diseño y la Innovación Curricular en la Actividad Física y el Deporte.

  18. Giant tunnel magneto-resistance in graphene based molecular tunneling junction

    Science.gov (United States)

    Wang, Bin; Li, Jianwei; Yu, Yunjin; Wei, Yadong; Wang, Jian; Guo, Hong

    2016-02-01

    We propose and theoretically investigate a class of stable zigzag graphene nanoribbon (ZGNR) based molecular magnetic tunneling junctions (MTJs). For those junctions having pentagon-connecting formations, huge tunnel magneto-resistance (TMR) is found. Different from most of the other proposed molecular junctions, the huge TMR in our structures is generic, and is not significantly affected by external parameters such as bias voltage, gate voltage, length of the molecule and width of the ZGNRs. The double pentagon-connecting formation between the molecule and ZGNRs is critical for the remarkable TMR ratio, which is as large as ~2 × 105. These molecular MTJs behave as almost perfect spin filters and spin valve devices. Other connecting formations of the ZGNR based MTJs lead to much smaller TMR. By first principles analysis, we reveal the microscopic physics responsible for this phenomenon.

  19. Fabrication of tunnel junction-based molecular electronics and spintronics devices

    International Nuclear Information System (INIS)

    Tunnel junction-based molecular devices (TJMDs) are highly promising for realizing futuristic electronics and spintronics devices for advanced logic and memory operations. Under this approach, ∼2.5 nm molecular device elements bridge across the ∼2-nm thick insulator of a tunnel junction along the exposed side edge(s). This paper details the efforts and insights for producing a variety of TJMDs by resolving multiple device fabrication and characterization issues. This study specifically discusses (i) compatibility between tunnel junction test bed and molecular solutions, (ii) optimization of the exposed side edge profile and insulator thickness for enhancing the probability of molecular bridging, (iii) effect of fabrication process-induced mechanical stresses, and (iv) minimizing electrical bias-induced instability after the device fabrication. This research will benefit other researchers interested in producing TJMDs efficiently. TJMD approach offers an open platform to test virtually any combination of magnetic and nonmagnetic electrodes, and promising molecules such as single molecular magnets, porphyrin, DNA, and molecular complexes.

  20. Double-hairpin molecular-beacon-based amplification detection for gene diagnosis linked to cancer.

    Science.gov (United States)

    Xu, Huo; Zhang, Rongbo; Li, Feng; Zhou, Yingying; Peng, Ting; Wang, Xuedong; Shen, Zhifa

    2016-09-01

    A powerful double-hairpin molecular beacon (DHMB) was developed for cancer-related KRAS gene detection based on the one-to-two stoichiometry. During target DNA detection, DHMB can execute signal transduction even if no any exogenous element is involved. Unlike the conventional molecular beacon based on the one-to-one interaction, one target DNA not only hybridizes with one DHMB and opens its hairpin but also promotes the interaction between two DHMBs, causing the separation of two fluorophores from quenchers. This leads to an enhanced fluorescence signal. As a result, the target KRAS gene is able to be detected within a wide dynamic range from 0.05 to 200 nM with the detection limit of 50 pM, indicating a dramatic improvement compared with traditional molecular beacons. Moreover, the point mutations existing in target DNAs can be easily screened. The potential application for target species in real samples was indicated by the analysis of PCR amplicons of DNAs from the DNA extracted from SW620 cell. Besides becoming a promising candidate probe for molecular biology research and clinical diagnosis of genetic diseases, the DHMB is expected to provide a significant insight into the design of DNA probe-based homogenous sensing systems. Graphical Abstract A powerful double-hairpin molecular beacon (DHMB) was developed for cancer-related gene KRAS detection based on the one-to-two stoichiometry. Without the help of any exogenous probe, the point mutation is easily screened, and the target DNA can be quantified down to 50 pM, indicating a dramatic improvement compared with traditional molecular beacons. PMID:27422649

  1. Caracterització de les alteracions moleculars dels carcinomes basocel·lulars esporàdics

    OpenAIRE

    Aguayo Ortiz, Rafael

    2013-01-01

    El carcinoma basocel•lular (CBC) és la neoplàsia més freqüent en l’ésser humà. La importància d’aquest tumor rau tant en la gran morbiditat que produeix com en l’enorme despesa sanitària que ocasiona als sistemes de salut de gairebé tot el món. Malgrat que el seu tractament és essencialment quirúrgic, existeixen casos on no està indicat aquest abordatge terapèutic i seria interessant el fet de conèixer les alteracions moleculars que comporten la formació de la neoplàsia per tal...

  2. Well-Defined Polyethylene-Based Random, Block, and Bilayered Molecular Cobrushes

    KAUST Repository

    Zhang, Hefeng

    2015-06-09

    Novel well-defined polyethylene-based random, block, and bilayered molecular cobrushes were synthesized through the macromonomer strategy. Two steps were involved in this approach: (i) synthesis of norbornyl-terminated macromonomers of polyethylene (PE), polycaprolactone (PCL), poly(ethylene oxide) (PEO), and polystyrene (PS), as well as polyethylene-b-polycaprolactone (PE-b-PCL), by esterification of the hydroxyl-terminated precursors (PE, PCL, PEO, PS, and PE-b-PCL) with 5-norbornene-2-carboxylic acid and (ii) ring-opening metathesis (co)polymerization of the resulting macromonomers to afford the PE-based molecular cobrushes. The PE-macromonomers were synthesized by polyhomologation of dimethylsulfoxonium methylide, while the others by anionic polymerization. Proton nuclear magnetic resonance spectroscopy (1H NMR) and high-temperature gel permeation chromatography (HT-GPC) were used to imprint the molecular characteristics of all macromonomers and molecular brushes and differential scanning calorimetry (DSC) for the thermal properties. The bilayered molecular cobrushes of P(PE-b-PCL) adopt a wormlike morphology on silica wafer as visualized by atomic force microscopy (AFM). © 2015 American Chemical Society.

  3. Designing and Implementing a Hands-On, Inquiry-Based Molecular Biology Course

    Science.gov (United States)

    Regassa, Laura B.; Morrison-Shetlar, Alison I.

    2007-01-01

    Inquiry-based learning was used to enhance an undergraduate molecular biology course at Georgia Southern University, a primarily undergraduate institution in rural southeast Georgia. The goal was to use a long-term, in-class project to accelerate higher-order thinking, thereby enabling students to problem solve and apply their knowledge to novel…

  4. Synthesis and Characterization of Helicene-Based Imidazolium Salt and Its Application for Organic Molecular Electronics.

    Czech Academy of Sciences Publication Activity Database

    Storch, Jan; Sýkora, Jan; Žádný, Jaroslav; Strašák, Tomáš; Církva, Vladimír; Krbal, M.; Vacek, J.

    - : -, 2014. ISBN N. [From Carbon-Rich Molecules to Carbon-Based Materials. Casablanca (MA), 22.09.2014-25.09.2015] R&D Projects: GA TA ČR TA01010646 Institutional support: RVO:67985858 Keywords : helicenes * imidazolium cation * organic molecular semiconductor Subject RIV: CC - Organic Chemistry

  5. IDENTIFICACIÓN MOLECULAR DE POBLACIONES BACTERIANAS ASOCIADAS AL CARACOL PALA (Strombus gigas DEL CARIBE COLOMBIANO Molecular Identification Of Bacterial Populations Associated To Queen Conch (Strombus gigas From Colombian Caribbe

    Directory of Open Access Journals (Sweden)

    EDINSON ANDRÉS ACOSTA

    Full Text Available El caracol Pala, Strombus gigas (Strombidae, es de gran importancia ecológica y socioeconómica en el área caribeña colombiana. Sin embargo, es una especie catalogada como "vulnerable" y existe muy poca información referente a las especies bacterianas asociadas al caracol que puedan ser importantes para el desarrollo, manejo productivo y de seguridad acuícola de estos gastrópodos. En este trabajo, nosotros empleamos un estudio microbiológico y molecular de la región intergénica entre los genes 16S y 23S rDNA, análisis del gen rDNA 16S y secuenciación, para analizar las bacterias asociadas al caracol Pala (S. gigas. La composición de bacterias cultivables asociadas fue evaluada por su capacidad para crecer en agar marino y en medios de cultivos selectivos. De un total de 28 muestras analizadas encontramos que el número de bacterias cultivadas en condiciones aerobias fue de alrededor 10(6 ufc mL-1 donde las bacterias pertenecientes a la familia Vibrionacea fueron las más abundantes, cerca de >10(5 ufc mL-1. El análisis molecular de la región intergénica entre los genes 16S y 23S rDNA de las diferentes muestras, reveló una gran complejidad bacteriana asociada a S. gigas. Las secuencias de los amplificados del gen rDNA 16S identificó Pseudoalteromonas sp., Halomonas sp., Psycrobacter sp., Cobetia sp., Pseudomonas sp. y Vibrios sp. Nuestros resultados podrían sugerir un rol importante de estas bacterias como componentes de la comunidad asociada al S. gigas. Esta información puede complementar los estudios que se están implementando en los procesos para la conservación y repoblamiento de las poblaciones de S. gigas en Colombia.The Queen Conch, Strombus gigas (Strombidae, is a species of great ecological and socioeconomic importance in the Caribbean area of Colombia. However, it is currently catalogued as "vulnerable"; there is limited information concerning the bacterial species associated with conch and important in the

  6. Towards a logic-based method to infer provenance-aware molecular networks

    OpenAIRE

    Aslaoui-Errafi, Zahira; Cohen-Boulakia, Sarah; Froidevaux, Christine; Gloaguen, Pauline; Poupon, Anne; Rougny, Adrien; Yahiaoui, Meriem

    2012-01-01

    International audience Providing techniques to automatically infer molecular networks is particularly important to understand complex relationships between biological objects. We present a logic-based method to infer such networks and show how it allows inferring signalling networks from the design of a knowledge base. Provenance of inferred data has been carefully collected, allowing quality evaluation. More precisely, our method (i) takes into account various kinds of biological experime...

  7. Anthraquinone-based demultiplexer and other multiple operations at the molecular level

    Indian Academy of Sciences (India)

    Navneet Kaur; Subodh Kumar

    2014-01-01

    Anthraquinone-based chemosensor L with pyridine units as additional functional groups has been found to show pH-dependent multiple coordinationmodes towards differentmetal ions (Co2+, Ni2+ and Cu2+). Based on these different absorption changes, this differential colorimetric chemosensor L has found promising applications as a multiple-mode molecular logic system, i.e., OR, three - input NOR, three - input INHIBIT, TRANSFER and 1:2 DEMUX.

  8. PyRosetta: a script-based interface for implementing molecular modeling algorithms using Rosetta

    OpenAIRE

    Chaudhury, Sidhartha; Lyskov, Sergey; Gray, Jeffrey J.

    2010-01-01

    Summary: PyRosetta is a stand-alone Python-based implementation of the Rosetta molecular modeling package that allows users to write custom structure prediction and design algorithms using the major Rosetta sampling and scoring functions. PyRosetta contains Python bindings to libraries that define Rosetta functions including those for accessing and manipulating protein structure, calculating energies and running Monte Carlo-based simulations. PyRosetta can be used in two ways: (i) interactive...

  9. Isatin based thiosemicarbazone derivatives as potential bioactive agents: Anti-oxidant and molecular docking studies

    Science.gov (United States)

    Haribabu, J.; Subhashree, G. R.; Saranya, S.; Gomathi, K.; Karvembu, R.; Gayathri, D.

    2016-04-01

    A new series of isatin based thiosemicarbazones has been synthesized from benzylisatin and unsubstituted/substituted thiosemicarbazides (1-5). The synthesized compounds were characterized by elemental analyses, and UV-Visible, FT-IR, 1H &13C NMR and mass spectroscopic techniques. Three dimensional molecular structure of three compounds (1, 3 and 4) was determined by single crystal X-ray crystallography. Anti-oxidant activity of the thiosemicarbazone derivatives showed their excellent scavenging effect against free radicals. In addition, all the compounds showed good anti-haemolytic activity. In silico molecular docking studies were performed to screen the anti-inflammatory and anti-tuberculosis properties of thiosemicarbazone derivatives.

  10. Benchmarking ab initio binding energies of hydrogen-bonded molecular clusters based on FTIR spectroscopy

    DEFF Research Database (Denmark)

    Bork, Nicolai Christian; Du, Lin; Reiman, Heidi;

    2014-01-01

    Gibbs free binding energies in molecular complexes and clusters based on gas phase FTIR spectroscopy. The acetonitrile-HCl molecular complex is identified via its redshifted H-Cl stretching vibrational mode. We determine the Gibbs free binding energy, ΔG°295 K, to between 4.8 and 7.9 kJ mol(-1) and......Models of formation and growth of atmospheric aerosols are highly dependent on accurate cluster binding energies. These are most often calculated by ab initio electronic structure methods but remain associated with significant uncertainties. We present a computational benchmarking study of the...

  11. Optical materials based on molecular nano/microcrystals and ultrathin films

    Indian Academy of Sciences (India)

    A Patra; K Rajesh; T P Radhakrishnan

    2008-06-01

    Methodologies that we developed recently for the fabrication of molecular crystals with size variation in the nano to micro regime and polyelectrolyte templated mono and multilayer Langmuir–Blodgett films, are reviewed. The electronic absorption and strong fluorescence in the molecular nano/microcrystals are found to be size-dependent. Crystal structure and computational investigations provide a unified model to explain these observations. Role of polyelectrolyte templating in achieving stable and enhanced optical second harmonic generation response from LB films based on a hemicyanine amphiphile is highlighted.

  12. Toward molecular trait-based ecology through integration of biogeochemical, geographical and metagenomic data

    DEFF Research Database (Denmark)

    Raes, Jeroen; Letunic, Ivica; Yamada, Takuji;

    2011-01-01

    Using metagenomic 'parts lists' to infer global patterns on microbial ecology remains a significant challenge. To deduce important ecological indicators such as environmental adaptation, molecular trait dispersal, diversity variation and primary production from the gene pool of an ecosystem, we...... integrated 25 ocean metagenomes with geographical, meteorological and geophysicochemical data. We find that climatic factors (temperature, sunlight) are the major determinants of the biomolecular repertoire of each sample and the main limiting factor on functional trait dispersal (absence of biogeographic...... composition derived from metagenomes is an important quantitative readout for molecular trait-based biogeography and ecology....

  13. A density functional theory-based chemical potential equalisation approach to molecular polarizability

    Indian Academy of Sciences (India)

    Amita Wadehra; Swapan K Ghosh

    2005-09-01

    The electron density changes in molecular systems in the presence of external electric fields are modeled for simplicity in terms of the induced charges and dipole moments at the individual atomic sites. A chemical potential equalisation scheme is proposed for the calculation of these quantities and hence the dipole polarizability within the framework of density functional theory based linear response theory. The resulting polarizability is expressed in terms of the contributions from individual atoms in the molecule. A few illustrative numerical calculations are shown to predict the molecular polarizabilities in good agreement with available results. The usefulness of the approach to the calculation of intermolecular interaction needed for computer simulation is highlighted.

  14. Nonadiabatic molecular dynamics simulation: An approach based on quantum measurement picture

    Directory of Open Access Journals (Sweden)

    Wei Feng

    2014-07-01

    Full Text Available Mixed-quantum-classical molecular dynamics simulation implies an effective quantum measurement on the electronic states by the classical motion of atoms. Based on this insight, we propose a quantum trajectory mean-field approach for nonadiabatic molecular dynamics simulations. The new protocol provides a natural interface between the separate quantum and classical treatments, without invoking artificial surface hopping algorithm. Moreover, it also bridges two widely adopted nonadiabatic dynamics methods, the Ehrenfest mean-field theory and the trajectory surface-hopping method. Excellent agreement with the exact results is illustrated with representative model systems, including the challenging ones for traditional methods.

  15. Ab initio based force field and molecular dynamics simulations of crystalline TATB.

    Science.gov (United States)

    Gee, Richard H; Roszak, Szczepan; Balasubramanian, Krishnan; Fried, Laurence E

    2004-04-15

    An all-atom force field for 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) is presented. The classical intermolecular interaction potential for TATB is based on single-point energies determined from high-level ab initio calculations of TATB dimers. The newly developed potential function is used to examine bulk crystalline TATB via molecular dynamics simulations. The isobaric thermal expansion and isothermal compression under hydrostatic pressures obtained from the molecular dynamics simulations are in good agreement with experiment. The calculated volume-temperature expansion is almost one dimensional along the c crystallographic axis, whereas under compression, all three unit cell axes participate, albeit unequally. PMID:15267608

  16. Triazolyl-Based Molecular Gels as Ligands for Autocatalytic 'Click' Reactions.

    Science.gov (United States)

    Araújo, Marco; Díaz-Oltra, Santiago; Escuder, Beatriu

    2016-06-13

    The catalytic performance of triazolyl-based molecular gels was investigated in the Huisgen 1,3-dipolar cycloaddition of alkynes and azides. Low-molecular-weight gelators derived from l-valine were synthesized and functionalized with a triazole fragment. The resultant compounds formed gels either with or without copper, in a variety of solvents of different polarity. The gelators coordinated Cu(I) and exhibited a high catalytic activity in the gel phase for the model reaction between phenylacetylene and benzylazide. Additionally, the gels were able to participate in autocatalytic synthesis and the influence of small structural changes on their performance was observed. PMID:27168408

  17. Electrochemical sensor for dopamine based on a novel graphene-molecular imprinted polymers composite recognition element

    DEFF Research Database (Denmark)

    Mao, Yan; Bao, Yu; Gan, Shiyu;

    2011-01-01

    A novel composite of graphene sheets/Congo red-molecular imprinted polymers (GSCR-MIPs) was synthesized through free radical polymerization (FRP) and applied as a molecular recognition element to construct dopamine (DA) electrochemical sensor. The template molecules (DA) were firstly absorbed at...... sensor for highly sensitive and selective detection of DA was successfully constructed as demonstration based on the synthesized GSCR-MIPs nanocomposites. Under experimental conditions, selective detection of DA in a linear concentration range of 1.0×10−7–8.3×10−4M was obtained, which revealed a lower...

  18. A systematic revision on Caralluma species of Saudi Arabia based on karyological and molecular data

    International Nuclear Information System (INIS)

    A systematic revision of 13 species of the genus Caralluma (Apocynaceae - Asclepiadoideae - Ceropegieae) from the flora of Saudi Arabia based on the evaluation of karyological and molecular data was carried out. Karyotype criteria and polyploid variations were discussed. Sodium Dodecyl Sulphate Polyacrylamide Gel Electrophoresis (SDS-PAGE) and Random Amplified Polymorphic DNA (RAPD-PCR) techniques were also used in this study to distinguish these species. Karyotype features of the studied species and molecular data were used to reassess the relationships of the 13 species of Caralluma in the light of the current systems of classification. (author)

  19. Gold-based hybrid nanomaterials for biosensing and molecular diagnostic applications.

    Science.gov (United States)

    Kim, Jung Eun; Choi, Ji Hye; Colas, Marion; Kim, Dong Ha; Lee, Hyukjin

    2016-06-15

    The properties of gold nanomaterials are particularly of interest to many researchers, since they show unique physiochemical properties such as optical adsorption of specific wavelength of light, high electrical conductance with rich surface electrons, and facile surface modification with sulfhydryl groups. These properties have facilitated the use of gold nanomaterials in the development of various hybrid systems for biosensors and molecular diagnostics. Combined with various synthetic materials such as fluorescence dyes, polymers, oligonucleotides, graphene oxides (GO), and quantum dots (QDs), the gold-based hybrid nanomaterials offer multi-functionalities in molecular detection with high specificity and sensitivity. These two aspects result in the increase of detection speed as well as the lower detection limits, having shown that this diagnosis method is more effective than other conventional ones. In this review, we have highlighted various examples of nanomaterials for biosensing and molecular diagnostics. The gold-based hybrid systems are categorized by three distinct detection approaches, in which include (1) optical, such as surface plasmon resonance (SPR), RAMAN, and surface-enhanced Raman scattering (SERS), (2) fluorescence, such as förster resonance energy transfer (FRET) and nanomaterial surface energy transfer (NSET), and (3) electrochemical, such as potentiometic, amperometric, and conductometric. Each example provides the detailed mechanism of molecular detection as well as the supporting experimental result with the limit of detection (LOD). Lastly, future perspective on novel development of gold-based hybrid nanomaterials is discussed as well as their challenges. PMID:26894985

  20. Correlation of microarray-based breast cancer molecular subtypes and clinical outcomes: implications for treatment optimization

    International Nuclear Information System (INIS)

    Optimizing treatment through microarray-based molecular subtyping is a promising method to address the problem of heterogeneity in breast cancer; however, current application is restricted to prediction of distant recurrence risk. This study investigated whether breast cancer molecular subtyping according to its global intrinsic biology could be used for treatment customization. Gene expression profiling was conducted on fresh frozen breast cancer tissue collected from 327 patients in conjunction with thoroughly documented clinical data. A method of molecular subtyping based on 783 probe-sets was established and validated. Statistical analysis was performed to correlate molecular subtypes with survival outcome and adjuvant chemotherapy regimens. Heterogeneity of molecular subtypes within groups sharing the same distant recurrence risk predicted by genes of the Oncotype and MammaPrint predictors was studied. We identified six molecular subtypes of breast cancer demonstrating distinctive molecular and clinical characteristics. These six subtypes showed similarities and significant differences from the Perou-Sørlie intrinsic types. Subtype I breast cancer was in concordance with chemosensitive basal-like intrinsic type. Adjuvant chemotherapy of lower intensity with CMF yielded survival outcome similar to those of CAF in this subtype. Subtype IV breast cancer was positive for ER with a full-range expression of HER2, responding poorly to CMF; however, this subtype showed excellent survival when treated with CAF. Reduced expression of a gene associated with methotrexate sensitivity in subtype IV was the likely reason for poor response to methotrexate. All subtype V breast cancer was positive for ER and had excellent long-term survival with hormonal therapy alone following surgery and/or radiation therapy. Adjuvant chemotherapy did not provide any survival benefit in early stages of subtype V patients. Subtype V was consistent with a unique subset of luminal A intrinsic

  1. Las sucesiones terrígenas del Triásico superior y la base del Jurásico del Alto Muluya (Marruecos: estratigrafía y contexto geodinámico

    Directory of Open Access Journals (Sweden)

    Saâdi, Z.

    2012-06-01

    Full Text Available The Triassic-Jurassic basins of the High Moulouya area record the evolution of the Atlasicrifting in the SW-NE direction, showing a syntectonic continental sedimentation and an active volcanism. Such mobility has led to the differentiation of asymmetric half basins, whosegradual subsidence took place in successive stages. These basins, particularly during thedeposition of the terrigenous successions of the base of the Jurassic (early Liassic age,show a typical syntectonic continental infill. It consists of a mixed sedimentation, detrital andvolcanoclastic, generally coarse-grained towards the base. Coarser deposits, fed by volcanicclasts, are structured as sequences of spreading river cones, alternating with irregular clayfacies of flood plain. They reflect a rejuvenation of the relief, following a reactivation of thefaults. The sedimentary infill was provided by intermittent flows with considerable discharge,forming deposits along fault escarpments. The top of the terrigenous series shows a dominance of thin detritic sediments and a lack of volcanoclastics, reflecting the peneplanation ofthe relief and the creation of a flood plain. It records the widespread homogenization of theprior relief, causing the disappearance of the pre-existing structures during a period of tectonic quiescence. The volcanoclastics, witnessing an explosive volcanism and a concomitantsedimentation, are clustered in the tectonically active regions, where they are thicker and diversified. This late volcanism occurred during the final phases of rifting, owing to the replayof major Hercynian and tardi-hercynian faults. The Triassic-Jurassic period is thus marked byan extensional dynamics controlled by the influence of the first stages of the opening of thecentralAtlantic and the western Tethys

    Las cuencas triásico-jurásicas del Alto Muluya han registrado la evolución del proceso de “rifting” que ocurrió en elAtlas: una apertura en la dirección SO-NE, una

  2. Discovery of Anti-SARS Coronavirus Drug Based on Molecular Docking and Database Screening

    Institute of Scientific and Technical Information of China (English)

    CHEN,Hai-Feng(陈海峰); YAO,Jian-Hua(姚建华); SUN,Jing(孙晶); LI,Qiang(李强); LI,Feng(李丰); FAN,Bo-Tao(范波涛); YUAN,Shen-Gang(袁身刚)

    2004-01-01

    The active site of 3CL proteinase (3CLpro) for coronavirus was identified by comparing the crystal structures of human and porcine coronavirus. The inhibitor of the main protein of rhinovirus (Ag7088) could bind with 3CLpro of human coronavirus, then it was selected as the reference for molecular docking and database screening. The ligands from two databases were used to search potential lead structures with molecular docking. Several structures from natural products and ACD-SC databases were found to have lower binding free energy with 3CLpro than that of Ag7088. These structures have similar hydrophobicity to Ag7088. They have complementary electrostatic potential and hydrogen bond acceptor and donor with 3CLpro, showing that the strategy of anti-SARS drug design based on molecular docking and database screening is feasible.

  3. A Cucurbit[7]uril Based Molecular Shuttle Encoded by Visible Room-Temperature Phosphorescence.

    Science.gov (United States)

    Gong, Yifan; Chen, Hui; Ma, Xiang; Tian, He

    2016-06-17

    A visible room-temperature phosphorescence (RTP) signal, generated by complexation of cururbit[7]uril (CB[7]) and bromo-substituted isoquinoline in aqueous solution, is employed to address the shuttling of a pH-controlling molecular shuttle fabricated by CB[7] and a phosphor 6-bromoisoquinoline derivative IQC[5]. The CB[7] host shuttles along the axial guest under acidic conditions, accompanied by a weak RTP emission signal, while deprotonation of the guest IQC[5] makes the CB[7] wheel locate on the phosphor group, leading to intense RTP emission. The switching RTP emission of the molecular shuttle, via pH adjusting, can be visibly identified by the naked eye. This is the first CB-based molecular shuttle with an RTP signal as the output address of its shuttling and conformation. PMID:26548653

  4. STM investigation of imine-based molecular switches on Au(111)

    Energy Technology Data Exchange (ETDEWEB)

    Mielke, Johannes; Grill, Leonhard [Institut fuer Experimentalphysik, Freie Universitaet Berlin (Germany); Luo, Ying; Haag, Rainer [Institut fuer Chemie und Biochemie - Organische Chemie, Freie Universitaet Berlin (Germany)

    2009-07-01

    In the field of molecular electronics, molecular switches are highly relevant because they can control the conductance. Switches based on azobenzene molecules have attracted large interest in the last years. A very similar molecular switch can be created by replacing the functional azo group by an imine group, which does not considerably alter the electronic structure of the molecule and conserves the capability of undergoing a reversible trans-cis isomerisation. Such processes have already been studied in solution and the gas phase but not on surfaces. In this work, imine molecules with four tert-butyl groups were adsorbed on Au(111) and their adsorption and switching behaviour were studied using a low temperature STM. The molecules were found to form two types of ordered islands and an interesting irreversible switching behaviour was observed when looking at their temperature dependence, because the number of trans isomers was reduced upon heating of the sample.

  5. Competency-Based Education for the Molecular Genetic Pathology Fellow: A Report of the Association for Molecular Pathology Training and Education Committee

    OpenAIRE

    Talbert, Michael L.; Dunn, S. Terence; Hunt, Jennifer; Hillyard, David R.; Mirza, Imran; Nowak, Jan A.; Van Deerlin, Vivianna; Vnencak-Jones, Cindy L.

    2009-01-01

    The following report represents guidelines for competency-based fellowship training in Molecular Genetic Pathology (MGP) developed by the Association for Molecular Pathology Training and Education Committee and Directors of MGP Programs in the United States. The goals of the effort were to describe each of the Accreditation Council for Graduate Medical Education competencies as they apply to MGP fellowship training, provide a summary of goals and objectives, and recommend assessment tools. Th...

  6. The renewable sources of energy as a base for the sustainable development in Mexico; Las fuentes renovables de energia como base del desarrollo sostenible en Mexico

    Energy Technology Data Exchange (ETDEWEB)

    Rincon Mejia, Eduardo A. [Asociacion Nacional de Energia Solar, A. C. (Mexico)

    2003-07-01

    A simple proposal is presented in these lines that, in being implemented, would allow the following benefits: to generate hundreds of thousands of permanent work positions, to drastically diminish the emission of polluting agents to the atmosphere, to fortify the industry and to cause the national technological and scientific development, to avoid the deforestation and to revert the diffraction's of a great part of the territory of the country, to lighten the great problem of imminent shortage of water provision, to cause the root of the people to the field, discouraging the emigration towards other countries, the preservation of our valuable petroliferous resources, to reduce the natural gas and LP gas imports, and in short, to obtain a radical improvement of the economic and social situation of the country. The proposal, that at first sight can seem preposterous, but that it is perfectly viable, as much technical as economically, is the following one: to base the national power system in the renewable sources of energy (RSE), that in Mexico are very abundant, initiating immediately the transit, of the present system based on the burning of fossil fuels, such as the hydrocarbons and the mineral coal - that is absolutely untenable towards this new proposed system, sustainable and clean, in a period of about twenty years, so that many of us which are already advanced in years, reach to see it and to enjoy it. [Spanish] Se presenta en estas lineas una sencilla propuesta que, de implementarse, permitiria los siguientes beneficios: generar cientos de miles de puestos permanentes de trabajo, disminuir drasticamente la emision de contaminantes al ambiente, fortalecer a la industria y propiciar el desarrollo tecnologico y cientifico nacional, evitar la deforestacion y revertir la desertificacion de gran parte del territorio del pais, aligerar el gran problema del inminente desabasto en el suministro de agua, propiciar el arraigo de la gente del campo desalentando la

  7. Molecular-based tumour subtypes of canine mammary carcinomas assessed by immunohistochemistry

    Directory of Open Access Journals (Sweden)

    Sarli Giuseppe

    2010-01-01

    Full Text Available Abstract Background Human breast cancer is classified by gene expression profile into subtypes consisting of two hormone (oestrogen and/or progesterone receptor-positive types (luminal-like A and luminal-like B and three hormone receptor-negative types [human epidermal growth factor receptor 2-expressing, basal-like, and unclassified ("normal-like"]. Immunohistochemical surrogate panels are also proposed to potentially identify the molecular-based groups. The present study aimed to apply an immunohistochemical panel (anti-ER, -PR, -ERB-B2, -CK 5/6 and -CK14 in a series of canine malignant mammary tumours to verify the molecular-based classification, its correlation with invasion and grade, and its use as a prognostic aid in veterinary practice. Results Thirty-five tumours with luminal pattern (ER+ and PR+ were subgrouped into 13 A type and 22 B type, if ERB-B2 positive or negative. Most luminal-like A and basal-like tumours were grade 1 carcinomas, while the percentage of luminal B tumours was higher in grades 2 and 3 (Pearson Chi-square P = 0.009. No difference in the percentage of molecular subtypes was found between simple and complex/mixed carcinomas (Pearson Chi-square P = 0.47. No significant results were obtained by survival analysis, even if basal-like tumours had a more favourable prognosis than luminal-like lesions. Conclusion The panel of antibodies identified only three tumour groups (luminal-like A and B, and basal-like in the dog. Even though canine mammary tumours may be a model of human breast cancer, the existence of the same carcinoma molecular subtypes in women awaits confirmation. Canine mammary carcinomas show high molecular heterogeneity, which would benefit from a classification based on molecular differences. Stage and grade showed independent associations with survival in the multivariate regression, while molecular subtype grouping and histological type did not show associations. This suggests that caution should be

  8. Valoración diagnóstica de técnicas moleculares para detección de infección bucal por virus del papiloma humano

    Directory of Open Access Journals (Sweden)

    Myriam Lucrecia Medina

    2012-12-01

    Full Text Available La infección por Virus del Papiloma Humano está considerada actualmente como la infección de transmisión sexual más frecuente en el mundo. Muchas veces, estas infecciones son asintomáticas, pasando desapercibidas a no ser que se empleen métodos moleculares. Otras infecciones se vuelven crónicas, siendo las que tienen mayor potencial oncogénico. Desarrollo: El virus se detectó en carcinoma bucal de células escamosas, así como en lesiones benignas de mucosa bucal, donde se encontró HPV de bajo y alto riesgo oncogénico. En mucosa bucal normal se identificaron diferentes tipos de HPV de alto riesgo oncogénico. Los estudios señalan que el hallazgo en mucosa sana depende del método de estudio empleado. No obstante, a pesar de la importancia del diagnóstico precoz, existe poca información respecto de la prevalencia en mucosa bucal sana. La infección por HPV puede diagnosticarse por diferentes métodos, pero no todos permiten detectar el genoma ni determinar el tipo viral involucrado. Discusión: La tipificación del HPV permite conocer tipos virales circulantes en una población, facilitando el desarrollo e implementación de programas de prevención, diagnóstico y tratamiento adecuados, por lo que la identificación de HPV de alto riesgo oncogénico debería realizarse rutinariamente. Si bien, los mejores métodos diagnósticos son las pruebas moleculares, debe considerarse la prevalencia geográfica para los diferentes tipos de HPV en la elección del método específico afín de evitar conclusiones inexactas.

  9. Caracterización molecular y agronómica de aislados de Trichoderma spp nativos del noreste de México

    Directory of Open Access Journals (Sweden)

    José Luis Hernández Mendoza

    2012-06-01

    Full Text Available Normal 0 21 false false false ES-CO X-NONE X-NONE MicrosoftInternetExplorer4 Título en ingles: Molecular and agronomic characterization of Trichoderma spp natives of northeastern Mexico  Resumen Trichoderma sp es un hongo frecuentemente usado en actividades agrícolas, pues actúa como antagonista de diversas especies de hongos fitopatógenos. En este estudio se realizó el aislamiento de cuatro cepas de Trichoderma sp nativas del noreste de México, las cuales fueron identificadas a nivel molecular mediante la secuenciación del ITS 1. Además se evaluó su capacidad antagonista en contra los hongos fitopatógenos Macrophomina phaseolina y Fusarium oxysporum, que afectan severamente cultivos de sorgo, maíz y fríjol en el noreste de México. La identificación se realizó de acuerdo al grado de concordancia con secuencias reportadas y corresponden a las especies T. hammatum (HK701;  T. koningiopsis (HK702; T. asperellum (HK703 y Trichoderma sp (HK704. Por otra parte, las pruebas de antagonismo muestran que los aislados HK701, HK703 y HK704 inhiben por competencia el crecimiento de M. phaseolina y F. oxysporum, mientras que HK702 tiene la capacidad para hiperparasitar dichos fitopatógenos. Finalmente, se evaluó la promoción de crecimiento de T. asperellum HK703, en maíz (Pionner 30P49®, usando para ello concentraciones de tratamiento de 1x10e2 hasta 1x10e6 esp/mL. En estos ensayos se midió la producción de biomasa. Los resultados muestran que en concentraciones intermedias se tiene el mayor incremento en altura de plantas y mayor producción de peso seco en follaje y raíz. Entre los parámetros antes mencionados existen diferencias significativas. Palabras clave: control biológico, antagonismo, biofertilizantes, Zea maiz, Sorghum bicolor. Abstract Trichoderma sp is a fungus often used in agricultural activities, because it acts as an antagonist of several species of plant pathogenic fungi. In this study four strains of Trichoderma

  10. Arylazopyrazoles as Light-Responsive Molecular Switches in Cyclodextrin-Based Supramolecular Systems.

    Science.gov (United States)

    Stricker, Lucas; Fritz, Eva-Corinna; Peterlechner, Martin; Doltsinis, Nikos L; Ravoo, Bart Jan

    2016-04-01

    A simple and high yield synthesis of water-soluble arylazopyrazoles (AAPs) featuring superior photophysical properties is reported. The introduction of a carboxylic acid allows the diverse functionalization of AAPs. Based on structural modifications of the switching unit the photophysical properties of the AAPs could be tuned to obtain molecular switches with favorable photostationary states. Furthermore, AAPs form stable and light-responsive host-guest complexes with β-cyclodextrin (β-CD). Our most efficient AAP shows binding affinities comparable to azobenzenes, but more effective switching and higher thermal stability of the Z-isomer. As a proof-of-principle, we investigated two CD-based supramolecular systems, containing either cyclodextrin vesicles (CDVs) or cyclodextrin-functionalized gold nanoparticles (CDAuNPs), which revealed excellent reversible, light-responsive aggregation and dispersion behavior. To conclude, AAPs have great potential to be incorporated as molecular switches in highly demanding and multivalent photoresponsive systems. PMID:26972671

  11. Important issues facing model-based approaches to tunneling transport in molecular junctions

    CERN Document Server

    Baldea, Ioan

    2015-01-01

    Extensive studies on thin films indicated a generic cubic current-voltage $I-V$ dependence as a salient feature of charge transport by tunneling. A quick glance at $I-V$ data for molecular junctions suggests a qualitatively similar behavior. This would render model-based studies almost irrelevant, since, whatever the model, its parameters can always be adjusted to fit symmetric (asymmetric) $I-V$ curves characterized by two (three) expansion coefficients. Here, we systematically examine popular models based on tunneling barrier or tight-binding pictures and demonstrate that, for a quantitative description at biases of interest ($V$ slightly higher than the transition voltage $V_t$), cubic expansions do not suffice. A detailed collection of analytical formulae as well as their conditions of applicability are presented to facilitate experimentalists colleagues to process and interpret their experimental data by obtained by measuring currents in molecular junctions. We discuss in detail the limits of applicabili...

  12. A density-based adaptive quantum mechanical/molecular mechanical method.

    Science.gov (United States)

    Waller, Mark P; Kumbhar, Sadhana; Yang, Jack

    2014-10-20

    We present a density-based adaptive quantum mechanical/molecular mechanical (DBA-QM/MM) method, whereby molecules can switch layers from the QM to the MM region and vice versa. The adaptive partitioning of the molecular system ensures that the layer assignment can change during the optimization procedure, that is, on the fly. The switch from a QM molecule to a MM molecule is determined if there is an absence of noncovalent interactions to any atom of the QM core region. The presence/absence of noncovalent interactions is determined by analysis of the reduced density gradient. Therefore, the location of the QM/MM boundary is based on physical arguments, and this neatly removes some empiricism inherent in previous adaptive QM/MM partitioning schemes. The DBA-QM/MM method is validated by using a water-in-water setup and an explicitly solvated L-alanyl-L-alanine dipeptide. PMID:24954803

  13. Efficient electronic coupling and improved stability with dithiocarbamate-based molecular junctions

    Science.gov (United States)

    von Wrochem, Florian; Gao, Deqing; Scholz, Frank; Nothofer, Heinz-Georg; Nelles, Gabriele; Wessels, Jurina M.

    2010-08-01

    Molecular electronic devices require stable and highly conductive contacts between the metal electrodes and molecules. Thiols and amines are widely used to attach molecules to metals, but they form poor electrical contacts and lack the robustness required for device applications. Here, we demonstrate that dithiocarbamates provide superior electrical contact and thermal stability when compared to thiols on metals. Ultraviolet photoelectron spectroscopy and density functional theory show the presence of electronic states at 0.6 eV below the Fermi level of Au, which effectively reduce the charge injection barrier across the metal-molecule interface. Charge transport measurements across oligophenylene monolayers reveal that the conductance of terphenyl-dithiocarbamate junctions is two orders of magnitude higher than that of terphenyl-thiolate junctions. The stability and low contact resistance of dithiocarbamate-based molecular junctions represent a significant step towards the development of robust, organic-based electronic circuits.

  14. Sputum-Based Molecular Biomarkers for the Early Detection of Lung Cancer: Limitations and Promise

    International Nuclear Information System (INIS)

    Lung cancer is the leading cause of cancer deaths, with an overall survival of 15% at five years. Biomarkers that can sensitively and specifically detect lung cancer at early stage are crucial for improving this poor survival rate. Sputum has been the target for the discovery of non-invasive biomarkers for lung cancer because it contains airway epithelial cells, and molecular alterations identified in sputum are most likely to reflect tumor-associated changes or field cancerization caused by smoking in the lung. Sputum-based molecular biomarkers include morphology, allelic imbalance, promoter hypermethylation, gene mutations and, recently, differential miRNA expression. To improve the sensitivity and reproducibility of sputum-based biomarkers, we recommend standardization of processing protocols, bronchial epithelial cell enrichment, and identification of field cancerization biomarkers

  15. Development of a molecularly imprinted polymer based surface plasmon resonance sensor for theophylline monitoring

    Science.gov (United States)

    Zheng, Rui; Cameron, Brent D.

    2011-03-01

    Molecularly imprinted polymer (MIP) thin films and surface plasmon resonance (SPR) sensing technologies were combined to develop a novel sensing platform for monitoring real-time theophylline concentration, which is a compound of interest in environmental monitoring and a molecular probe for phenotyping certain cytochrome P450 enzymes. The MIPs hydrogel is easy to synthesize and provides shape-selective recognition with high affinity to specific target molecules. Different polymerization formulas were tested and optimized. The influence of the monomer sensitive factors were addressed by SPR. SPR is an evanescent wave optics based sensing technique that is suitable for real-time and label free sensing purposes. Gold nanorods (Au NRs) were uniformly immobilized onto a SPR sensing surface for the construction of a fiber optics based prism-free localized SPR (LSPR) measurement. This technique can be also applied to assess the activities of other small organic molecules by adjusting the polymerization formula, thus, this approach also has many other potential applications.

  16. Recent emergence of photon upconversion based on triplet energy migration in molecular assemblies.

    Science.gov (United States)

    Yanai, Nobuhiro; Kimizuka, Nobuo

    2016-04-01

    An emerging field of triplet energy migration-based photon upconversion (TEM-UC) is reviewed. Highly efficient photon upconversion has been realized in a wide range of chromophore assemblies, such as non-solvent liquids, ionic liquids, amorphous solids, gels, supramolecular assemblies, molecular crystals, and metal-organic frameworks (MOFs). The control over their assembly structures allows for unexpected air-stability and maximum upconversion quantum yield at weak solar irradiance that has never been achieved by the conventional molecular diffusion-based mechanism. The introduction of the "self-assembly" concept offers a new perspective in photon upconversion research and triplet exciton science, which show promise for numerous applications ranging from solar energy conversion to chemical biology. PMID:26947379

  17. Initiating Heavy-atom Based Phasing by Multi-Dimensional Molecular Replacement

    DEFF Research Database (Denmark)

    Pedersen, Bjørn Panyella; Gourdon, Pontus Emanuel; Liu, Xiangyu;

    2014-01-01

    To obtain an electron-density map from a macromolecular crystal the phase-problem needs to be solved, which often involves the use of heavy-atom derivative crystals and concomitantly the determination of the heavy atom substructure. This is customarily done by direct methods or Patterson......-based approaches, which however may fail when only poorly diffracting derivative crystals are available, as often the case for e.g. membrane proteins. Here we present an approach for heavy atom site identification based on a Molecular Replacement Parameter Matrix (MRPM) search. It involves an n-dimensional search...... to test a wide spectrum of molecular replacement parameters, such as clusters of different conformations. The result is scored by the ability to identify heavy-atom positions, from anomalous difference Fourier maps, that allow meaningful phases to be determined. The strategy was successfully applied...

  18. Plasmon Resonance Energy Transfer (PRET)-based Molecular Imaging of Cytochrome c in Living Cells

    OpenAIRE

    Choi, Yeonho; Kang, Taewook; Lee, Luke P.

    2009-01-01

    We describe the development of innovative plasmon resonance energy transfer (PRET)-based molecular imaging of biomolecules in living cells. Our strategy of in vivo PRET imaging relies on the resonant plasmonic energy transfer from a gold nanoplasmonic probe to conjugated target molecules, which creates “quantized quenching dips” within the Rayleigh scattering spectrum of the probe. The positions of these quantized quenching dips exactly match with the absorption peaks of the target molecule s...

  19. Modeling of Car-Following Required Safe Distance Based on Molecular Dynamics

    OpenAIRE

    Dayi Qu; Xiufeng Chen; Wansan Yang; Xiaohua Bian

    2014-01-01

    In car-following procedure, some distances are reserved between the vehicles, through which drivers can avoid collisions with vehicles before and after them in the same lane and keep a reasonable clearance with lateral vehicles. This paper investigates characters of vehicle operating safety in car following state based on required safe distance. To tackle this problem, we probe into required safe distance and car-following model using molecular dynamics, covering longitudinal and lateral safe...

  20. Molecular-Based Assay for Simultaneous Detection of Four Plasmodium spp. and Wuchereria bancrofti Infections

    OpenAIRE

    MEHLOTRA, RAJEEV K.; Gray, Laurie R; Blood-Zikursh, Melinda J.; Kloos, Zachary; Henry-Halldin, Cara N.; Tisch, Daniel J.; Thomsen, Edward; Reimer, Lisa; Kastens, Will; Baea, Manasseh; Baea, Kaye; Baisor, Moses; Tarongka, Nandao; Kazura, James W; Zimmerman, Peter A

    2010-01-01

    Four major malaria-causing Plasmodium spp. and lymphatic filariasis-causing Wuchereria bancrofti are co-endemic in many tropical and sub-tropical regions. Among molecular diagnostic assays, multiplex polymerase chain reaction (PCR)–based assays for the simultaneous detection of DNAs from these parasite species are currently available only for P. falciparum and W. bancrofti or P. vivax and W. bancrofti. Using a post-PCR oligonucleotide ligation detection reaction–fluorescent microsphere assay ...

  1. Radical Gas-Based DNA Decontamination for Ultra-Sensitive Molecular Experiments

    OpenAIRE

    Morono, Yuki; Yamamoto, Katsuhiro; Inagaki, Fumio

    2012-01-01

    In this study, we tested a radical gas-based decontamination technique to prevent possible DNA contamination by the air and/or equipment used in molecular experiments. We prepared 104 molecules of model DNA contaminant and placed the dried DNA into test tubes, which were then exposed to radical gas. Quantitative PCR analysis showed that, even after a short exposure time of 30 minutes, 99.54% of the model DNA contaminant was effectively decomposed to undetectable levels. Our results demonstrat...

  2. Multi-scale computational framework for evaluating of the performance of molecular based flash cells

    OpenAIRE

    Georgiev, Vihar; Asenov, Asen

    2015-01-01

    In this work we present a multi-scale computational framework for evaluation of statistical variability in a molecular based non-volatile memory cell. As a test case we analyse a BULK flash cell with polyoxometalates (POM) inorganic molecules used as storage centres. We focuse our discussions on the methodology and development of our innovative and unique computational framework. The capability of the discussed multi-scale approach is demonstrated by establishing a link between the threshold ...

  3. Modeling the relationship between body weight and energy intake: A molecular diffusion-based approach

    OpenAIRE

    Gong Zhejun; Gong Zhefeng

    2012-01-01

    Abstract Background Body weight is at least partly controlled by the choices made by a human in response to external stimuli. Changes in body weight are mainly caused by energy intake. By analyzing the mechanisms involved in food intake, we considered that molecular diffusion plays an important role in body weight changes. We propose a model based on Fick's second law of diffusion to simulate the relationship between energy intake and body weight. Results This model was applied to food intake...

  4. Reusable molecular sensor based on photonic activation control of DNA probes

    OpenAIRE

    Nishimura, Takahiro; Ogura, Yusuke; Tanida, Jun

    2012-01-01

    We propose a photoactivatable and resettable molecular sensor using DNA probes. The functionality is achieved by reversible change of DNA structure induced via photonic signals. Based on the mechanism, the sensor can detect target molecules at a desired instant and can be returned to its initial state after detection. The experimental results demonstrate that the concentrations of the target molecules are detected correctly and repeatedly according to the light signal.

  5. Synthetic molecular systems based on porphyrins as models for the study of energy transfer in photosynthesis

    International Nuclear Information System (INIS)

    The published data on the synthesis and photochemical properties of porphyrin-based molecular ensembles which represent models of natural photosynthetic light-harvesting complexes are generalised and systematised. The dependence of the transfer of excitation energy on the distance between donor and acceptor components, their mutual arrangement, electronic and environmental factors are discussed. Two mechanisms of energy transfer reactions, viz., 'through space' and 'through bond', are considered. The bibliography includes 96 references.

  6. Molecular Characterization of Soil Ammonia-Oxidizing Bacteria Based on the Genes Encoding Ammonia Monooxygenase

    OpenAIRE

    Alzerreca, Jose Javier

    1999-01-01

    Ammonia-oxidizing bacteria (AOB) are chemolithotrophs that oxidize ammonia/ammonium to nitrite in a two-step process to obtain energy for survival. AOB are difficult to isolate from the environment and iso lated strains may not represent the diversity in soil. A genetic database and molecular tools were developed based on the ammonia monooxygenase (AMO) encoding genes that can be used to assess the diversity of AOB that exist in soil and aquatic environments without the isolation of pure cult...

  7. Cellulose acetate-based molecularly imprinted polymeric membrane for separation of vanillin and o-vanillin

    OpenAIRE

    Chunjing Zhang; Shian Zhong; Zhengpeng Yang

    2008-01-01

    Cellulose acetate-based molecularly imprinted polymeric membranes were prepared using vanillin as template molecule. The microscopic structure of the resultant polymeric membranes was characterized by SEM and FTIR spectroscopy, and the selective binding properties and separation capacity of the membranes for vanillin and o-vanillin were tested with binding experiments and separate experiments, respectively. The results showed that the vanillin-imprinted polymeric membranes displayed higher bi...

  8. Kinetic Energy-Based Temperature Computation in Non-Equilibrium Molecular Dynamics Simulation

    OpenAIRE

    Liu, Bin; Xu, Ran; He, Xiaoqiao

    2009-01-01

    The average kinetic energy is widely used to characterize temperature in molecular dynamics (MD) simulation. In this letter, the applicability of three types of average kinetic energy as measures of temperature is investigated, i.e., the total kinetic energy, kinetic energy without the centroid translation part, and thermal disturbance kinetic energy. Our MD simulations indicate that definitions of temperature based on the kinetic energy including rigid translational or rotational motion may ...

  9. Geometric filters for protein–ligand complexes based on phenomenological molecular models

    OpenAIRE

    Sudakov O. O.; Balinskyi O. M.; Platonov M. O.; Kovalskyy D. B.

    2013-01-01

    Molecular docking is a widely used method of computer-aided drug design capable of accurate prediction of protein-ligand complex conformations. However, scoring functions used to estimate free energy of binding still lack accuracy. Aim. Development of computationally simple and rapid algorithms for ranking ligands based on docking results. Methods. Computational filters utilizing geometry of protein-ligand complex were designed. Efficiency of the filters was verified in a cross-docking study ...

  10. Remote Detection of Xenon-based Molecular Sensors and the Development of Novel Paramagnetic Agents

    OpenAIRE

    Smith, Monica A.

    2012-01-01

    Applications of laser-polarized xenon nuclear magnetic resonance (NMR) spectroscopy and imaging have grown in number due to the exceptional sensitivity of xenon to its local environment. When paired with microfluidic technology, xenon-based molecular sensors (XBMS) have the potential to be used in a broad range of applications from medical devices to geochemistry. Detection of XBMS on a microfluidic chip requires remote detection NMR methodology, where the encoding and detection of aqueous...

  11. Molecular Toxicology of Substances Released from Resin–Based Dental Restorative Materials

    OpenAIRE

    Athina Bakopoulou; Triantafillos Papadopoulos; Pavlos Garefis

    2009-01-01

    Resin-based dental restorative materials are extensively used today in dentistry. However, significant concerns still remain regarding their biocompatibility. For this reason, significant scientific effort has been focused on the determination of the molecular toxicology of substances released by these biomaterials, using several tools for risk assessment, including exposure assessment, hazard identification and dose-response analysis. These studies have shown that substances released by thes...

  12. Prediction of Substrate-Enzyme-Product Interaction Based on Molecular Descriptors and Physicochemical Properties

    OpenAIRE

    Bing Niu; Guohua Huang; Linfeng Zheng; Xueyuan Wang; Fuxue Chen; Yuhui Zhang; Tao Huang

    2013-01-01

    It is important to correctly and efficiently predict the interaction of substrate-enzyme and to predict their product in metabolic pathway. In this work, a novel approach was introduced to encode substrate/product and enzyme molecules with molecular descriptors and physicochemical properties, respectively. Based on this encoding method, KNN was adopted to build the substrate-enzyme-product interaction network. After selecting the optimal features that are able to represent the main factors of...

  13. Feasibility study of molecular memory device based on DNA using methylation to store information

    Science.gov (United States)

    Jiang, Liming; Qiu, Wanzhi; Al-Dirini, Feras; Hossain, Faruque M.; Evans, Robin; Skafidas, Efstratios

    2016-07-01

    DNA, because of its robustness and dense information storage capability, has been proposed as a potential candidate for next-generation storage media. However, encoding information into the DNA sequence requires molecular synthesis technology, which to date is costly and prone to synthesis errors. Reading the DNA strand information is also complex. Ideally, DNA storage will provide methods for modifying stored information. Here, we conduct a feasibility study investigating the use of the DNA 5-methylcytosine (5mC) methylation state as a molecular memory to store information. We propose a new 1-bit memory device and study, based on the density functional theory and non-equilibrium Green's function method, the feasibility of electrically reading the information. Our results show that changes to methylation states lead to changes in the peak of negative differential resistance which can be used to interrogate memory state. Our work demonstrates a new memory concept based on methylation state which can be beneficial in the design of next generation DNA based molecular electronic memory devices.

  14. Molecular phylogeny of Toxoplasmatinae: comparison between inferences based on mitochondrial and apicoplast genetic sequences

    Directory of Open Access Journals (Sweden)

    Michelle Klein Sercundes

    2016-03-01

    Full Text Available Abstract Phylogenies within Toxoplasmatinae have been widely investigated with different molecular markers. Here, we studied molecular phylogenies of the Toxoplasmatinae subfamily based on apicoplast and mitochondrial genes. Partial sequences of apicoplast genes coding for caseinolytic protease (clpC and beta subunit of RNA polymerase (rpoB, and mitochondrial gene coding for cytochrome B (cytB were analyzed. Laboratory-adapted strains of the closely related parasites Sarcocystis falcatula and Sarcocystis neurona were investigated, along with Neospora caninum, Neospora hughesi, Toxoplasma gondii (strains RH, CTG and PTG, Besnoitia akodoni, Hammondia hammondiand two genetically divergent lineages of Hammondia heydorni. The molecular analysis based on organellar genes did not clearly differentiate between N. caninum and N. hughesi, but the two lineages of H. heydorni were confirmed. Slight differences between the strains of S. falcatula and S. neurona were encountered in all markers. In conclusion, congruent phylogenies were inferred from the three different genes and they might be used for screening undescribed sarcocystid parasites in order to ascertain their phylogenetic relationships with organisms of the family Sarcocystidae. The evolutionary studies based on organelar genes confirm that the genusHammondia is paraphyletic. The primers used for amplification of clpC and rpoB were able to amplify genetic sequences of organisms of the genus Sarcocystisand organisms of the subfamily Toxoplasmatinae as well.

  15. Molecular phylogeny of Toxoplasmatinae: comparison between inferences based on mitochondrial and apicoplast genetic sequences.

    Science.gov (United States)

    Sercundes, Michelle Klein; Valadas, Samantha Yuri Oshiro Branco; Keid, Lara Borges; Oliveira, Tricia Maria Ferreira Souza; Ferreira, Helena Lage; Vitor, Ricardo Wagner de Almeida; Gregori, Fábio; Soares, Rodrigo Martins

    2016-01-01

    Phylogenies within Toxoplasmatinae have been widely investigated with different molecular markers. Here, we studied molecular phylogenies of the Toxoplasmatinae subfamily based on apicoplast and mitochondrial genes. Partial sequences of apicoplast genes coding for caseinolytic protease (clpC) and beta subunit of RNA polymerase (rpoB), and mitochondrial gene coding for cytochrome B (cytB) were analyzed. Laboratory-adapted strains of the closely related parasites Sarcocystis falcatula and Sarcocystis neurona were investigated, along with Neospora caninum, Neospora hughesi, Toxoplasma gondii (strains RH, CTG and PTG), Besnoitia akodoni, Hammondia hammondiand two genetically divergent lineages of Hammondia heydorni. The molecular analysis based on organellar genes did not clearly differentiate between N. caninum and N. hughesi, but the two lineages of H. heydorni were confirmed. Slight differences between the strains of S. falcatula and S. neurona were encountered in all markers. In conclusion, congruent phylogenies were inferred from the three different genes and they might be used for screening undescribed sarcocystid parasites in order to ascertain their phylogenetic relationships with organisms of the family Sarcocystidae. The evolutionary studies based on organelar genes confirm that the genus Hammondia is paraphyletic. The primers used for amplification of clpC and rpoB were able to amplify genetic sequences of organisms of the genus Sarcocystisand organisms of the subfamily Toxoplasmatinae as well. PMID:27007245

  16. Which, when and why? Rational use of tissue-based molecular testing in localized prostate cancer.

    Science.gov (United States)

    Ross, A E; D'Amico, A V; Freedland, S J

    2016-03-01

    An increased molecular understanding of localized prostate cancer and the improved ability for molecular testing of pathologic tissue has led to the development of multiple clinical assays. Here we review the relevant molecular biology of localized prostate cancer, currently available tissue-based tests and describe which is best supported for use in various clinical scenarios. Literature regarding testing of human prostate cancer tissue with Ki-67, PTEN (by immunohistochemistry (IHC) or fluroescence in situ hybridization (FISH)), ProMark, Prolaris, OncotypeDX Prostate and Decipher was reviewed to allow for generation of expert opinions. At diagnosis, evaluation of PTEN status, use of ProMark or OncotypeDX Prostate in men with Gleason 6 or 3+4=7 disease may help guide the use of active surveillance. For men with Gleason 7 or above disease considering watchful waiting, Ki-67 and Prolaris add independent prognostic information. For those men who have undergone prostatectomy and have adverse pathology, Decipher testing may aid in the decision to undergo adjuvant radiation. Newly available molecular tests bring opportunities to improve decision making for men with localized prostate cancer. A review of the currently available data suggests clinical scenarios for which each of these tests may have the greatest utility. PMID:26123120

  17. Characterization-Based Molecular Design of Biofuel Additives Using Chemometric and Property Clustering Techniques

    Directory of Open Access Journals (Sweden)

    Subin eHada

    2014-06-01

    Full Text Available In this work, multivariate characterization data such as infrared (IR spectroscopy was used as a source of descriptor data involving information on molecular architecture for designing structured molecules with tailored properties. Application of multivariate statistical techniques such as principal component analysis (PCA allowed capturing important features of the molecular architecture from complex data to build appropriate latent variable models. Combining the property clustering techniques and group contribution methods (GCM based on characterization data in a reverse problem formulation enabled identifying candidate components by combining or mixing molecular fragments until the resulting properties match the targets. The developed methodology is demonstrated using molecular design of biodiesel additive which when mixed with off-spec biodiesel produces biodiesel that meets the desired fuel specifications. The contribution of this work is that the complex structures and orientations of the molecule can be included in the design, thereby allowing enumeration of all feasible candidate molecules that matched the identified target but were not part of original training set of molecules.

  18. Synchrotron based mass spectrometry to investigate the molecular properties of mineral-organic associations

    Energy Technology Data Exchange (ETDEWEB)

    Liu, Suet Yi; Kleber, Markus; Takahashi, Lynelle K.; Nico, Peter; Keiluweit, Marco; Ahmed, Musahid

    2013-04-01

    Soil organic matter (OM) is important because its decay drives life processes in the biosphere. Analysis of organic compounds in geological systems is difficult because of their intimate association with mineral surfaces. To date there is no procedure capable of quantitatively separating organic from mineral phases without creating artifacts or mass loss. Therefore, analytical techniques that can (a) generate information about both organic and mineral phases simultaneously and (b) allow the examination of predetermined high-interest regions of the sample as opposed to conventional bulk analytical techniques are valuable. Laser Desorption Synchrotron Postionization (synchrotron-LDPI) mass spectrometry is introduced as a novel analytical tool to characterize the molecular properties of organic compounds in mineral-organic samples from terrestrial systems, and it is demonstrated that when combined with Secondary Ion Mass Spectrometry (SIMS), can provide complementary information on mineral composition. Mass spectrometry along a decomposition gradient in density fractions, verifies the consistency of our results with bulk analytical techniques. We further demonstrate that by changing laser and photoionization energies, variations in molecular stability of organic compounds associated with mineral surfaces can be determined. The combination of synchrotron-LDPI and SIMS shows that the energetic conditions involved in desorption and ionization of organic matter may be a greater determinant of mass spectral signatures than the inherent molecular structure of the organic compounds investigated. The latter has implications for molecular models of natural organic matter that are based on mass spectrometric information.

  19. Molecular phylogeny and evolution of Scomber (Teleostei: Scombridae) based on mitochondrial and nuclear DNA sequences

    Institute of Scientific and Technical Information of China (English)

    CHENG Jiao; GAO Tianxiang; MIAO Zhenqing; YANAGIMOTO Takashi

    2011-01-01

    A molecular phylogenetic analysis of the genus Scomber was conducted based on mitochondrial (COI, Cyt b and control region) and nuclear (5S rDNA) DNA sequence data in multigene perspective. A variety of phylogenetic analytic methods were used to clarify the current taxonomic classification and to assess phylogenetic relationships and the evolutionary history of this genus. The present study produced a well-resolved phylogeny that strongly supported the monophyly of Scomber. We confirmed that S. japonicus and S. colias were genetically distinct. Although morphologically and ecologically similar to S. colias, the molecular data showed that S. japonicus has a greater molecular affinity with S. australasicus, which conflicts with the traditional taxonomy. This phyiogenetic pattern was corroborated by the mtDNA data, but incompletely by the nuclear DNA data. Phylogenetic concordance between the mitochondrial and nuclear DNA regions for the basal nodes supports an Atlantic origin for Scomber. The present-day geographic ranges of the species were compared with the resultant molecular phylogeny derived from partition Bayesian analyses of the combined data sets to evaluate possible dispersal routes of the genus. The present-day geographic distribution of Scomber species might be best ascribed to multiple dispersal events. In addition, our results suggest that phylogenies derived from multiple genes and long sequences exhibited improved phylogenetic resolution, from which we conclude that the phylogenetic reconstruction is a reliable representation of the evolutionary history of Scomber.

  20. The molecular hydrogen emission around L1551 IRS 5 - Shock-heated molecular gas at the base of the molecular outflow

    Science.gov (United States)

    Yamashita, Takuya; Tamura, Motohide

    1992-01-01

    Spatially resolved observations of the v = 1-0 S(1) molecular hydrogen emission toward L1551 IRS 5 using the grating spectrometer at KPNO are presented. The S(1) emission consists of a ridge component extending toward west along the optical jet from its peak on IRS 5 and a diffuse component which traces the innermost region of the cavity enclosed by the molecular outflow. The ridge component represents shock-heated molecular gas at the root of the optical jet. The diffuse component is too bright to be of scattered origin; it most likely arises from shock-heated gas within the cavity and could represent an acceleration process of the molecular outflow.

  1. Evaluación in vivo del efecto cicatrizante de un gel a base de quitosano obtenido de exoesqueleto de camarón blanco litopenaeus vannamei

    OpenAIRE

    Heimy Franceline Martínez Sánchez; Amada Yerén Escobedo Lozano; Evaristo Méndez-Gómez; Alfredo Emmanuel Vázquez; Manuel de Jesús Sol Hernández; Anahí Elizabeth Osuna Lizárraga

    2014-01-01

    Healing effect of a chitosan-based gel obtained from the exoskeleton of white shrimp Litopenaeus vannamei and its evaluation in vivoTítulo corto: Evaluación del quitosano como cicatrizanteResumen:  En México alrededor del 62 % de la población sufre de accidentes causantes de alteraciones en la piel como quemaduras, heridas y diabetes principalmente. Para atender esta problemática, se propone el uso de un gel de quitosano, obtenido del exoesqueleto de camarón ya que presenta actividad antimicr...

  2. Todos duros: los hijos del neoliberalismo : Afectos y corporalidad en el consumo de pasta base de cocaína en jóvenes de sectores populares

    OpenAIRE

    Bruzzone, Daiana

    2015-01-01

    En el marco del Doctorado en Comunicación nos proponemos investigarla experiencia del cuerpo en la cultura contemporánea en contextos de exclusión desde una dimensión simbólico afectiva, a partir del caso de los jóvenes de sectores populares consumidores de pasta base de cocaína. Esta pregunta se sitúa en un contexto donde podemos reconocer una vuelta a los grandes interrogantes que plantean una mirada totalizante sobre los entramados sociales, revisando las articulaciones –no sin conflictos-...

  3. Comparación de técnicas serológicas y moleculares en la detección del sistema Diego

    OpenAIRE

    Di Fabio Rocca, F.; Dejean, Cristina Beatriz; Avena, Sergio Alejandro

    2009-01-01

    El sistema sanguíneo Diego consta de dos antígenos principales: Di*A y Di*B. Fue descripto por primera vez en 1955 y desde entonces Di*A se utiliza como marcador de origen amerindio y del este asiático, por estar ausente en otras partes del mundo. En América presenta una frecuencia alélica particular; en el área amazónica se encuentran las frecuencias más altas (que van del 20% hasta el 40% en grupos aislados) y varía entre un 0% a un 15% en el resto del continente. Los objetivos del presente...

  4. Presentazione e analisi critica dei dati storici di base del terremoto dell’8 gennaio 1693 nel Pollino

    OpenAIRE

    Tertulliani, A.; Istituto Nazionale di Geofisica e Vulcanologia, Sezione Roma1, Roma, Italia; Cucci, L.; Istituto Nazionale di Geofisica e Vulcanologia, Sezione Roma1, Roma, Italia

    2014-01-01

    Questo lavoro descrive nei dettagli il percorso di uno studio di sismologia storica dedicato ad un terremoto avvenuto nella zona del massiccio del Pollino nel 1693, e sottoposto a revisione nell’ambito del progetto DPC-INGV S1 “Miglioramento delle conoscenze per la definizione del potenziale sismogenetico”. Scopo del lavoro è documentare con la massima completezza possibile tutte le fasi dello studio, a partire dai criteri storico-geografici adottati per selezionare le sedi di ric...

  5. Fast screening of ketamine in biological samples based on molecularly imprinted photonic hydrogels

    Energy Technology Data Exchange (ETDEWEB)

    Meng, Liang [Department of Forensic Science, People' s Public Security University of China, Beijing (China); Meng, Pinjia, E-mail: mengpinjia@163.com [Department of Forensic Science, People' s Public Security University of China, Beijing (China); Zhang, Qingqing; Wang, Yanji [Department of Forensic Science, People' s Public Security University of China, Beijing (China)

    2013-04-10

    Graphical abstract: A novel label-free colorimetric chemosensor: with the increase in the concentration of ketamine, the Bragg diffraction peak of MIPHs gradually shifted to the longer wavelength region. Accompanying the peak shift, the color change of MIPHs was also observed obviously: from green to red. Highlights: ► We developed the label-free colorimetric MIPHs for handy and fast screening of ketamine. ► The obvious color change of MIPHs was observed upon ketamine. ► The MIPHs exhibited good sensing abilities in an aqueous environment. ► The sensing mechanisms of the water-compatible MIPHs were investigated. ► The MIPHs were employed to screening ketamine in real biological samples. -- Abstract: A novel label-free colorimetric chemosensor was developed for handy and fast screening of ketamine with high sensitivity and specificity based on molecularly imprinted photonic hydrogels (MIPHs) that combined the colloidal-crystal with molecular imprinting technique. The unique inverse opal arrays with a thin polymer wall in which the imprinted nanocavities of ketamine moleculars distributed allowed high sensitive, quick responsive, specific detection of the target analyte, and good regenerating ability in an aqueous environment. Due to the hierarchical inverse opal structural characteristics, the specific ketamine molecular recognition process can induce obvious swelling of the MIPHs to be directly transferred into visually perceptible optical signal (change in color) which can be detected by the naked eye through Bragg diffractive shifts of ordered macroporous arrays. In order to enhance the recognition ability in aqueous environments, the MIPHs were designed as water-compatible and synthesized in a water–methanol system. The molecular recognition mechanisms were investigated. The proposed MIPHs were successfully employed to screen trace level ketamine in human urine and saliva samples, exhibiting high sensitivity, rapid response, and specificity in the

  6. Development and Integration of an SSR-Based Molecular Identity Database into Sugarcane Breeding Program

    Directory of Open Access Journals (Sweden)

    Yong-Bao Pan

    2016-04-01

    Full Text Available Sugarcane breeding is very difficult and it takes 12 to 14 years to develop a new cultivar for commercial production. This is because sugarcane varieties are highly polyploid, inter-specific hybrids with 100 to 130 chromosomes that may vary across geographical areas. Other obstacles/constraints include the small size of flowers that may not synchronize but may self-pollinate, difficulty in distinguishing hybrids from self progenies, extreme (G × E interactive effect, and potential variety mis-identification during vegetative propagation and varietal exchange. To help cane breeders circumvent these constraints, a simple sequence repeats (SSR-based molecular identity database has been developed at the United States Department of Agriculture-Agricultural Research Service, Sugarcane Research Unit in Houma, LA. Since 2005, approximately 2000 molecular identities have been constructed for clones of sugarcane and related Saccharum species that cover geographical areas including Argentina, Australia, Bangladesh, China, Colombia, India, Mexico, Pakistan, South Africa, Thailand, USA (Louisiana, Florida, Texas, and Hawaii, and Venezuela. The molecular identity database is updated annually and has been utilized to: (1 provide molecular descriptors to newly registered cultivars; (2 identify in a timely fashion any mislabeled or unidentifiable clones from cross parents and field evaluation plots; (3 develop de novo clones of energy cane with S. spontaneum cytoplasm; (4 provide clone-specific fingerprint information for assessing cross quality and paternity of polycross; (5 determine genetic relatedness of parental clones; (6 select F1 hybrids from (elite × wild or (wild × elite crosses; and (7 investigate the inheritance of SSR markers in sugarcane. The integration of the molecular identity database into the sugarcane breeding program may improve the overall efficacy of cultivar development and commercialization.

  7. DART: Denoising Algorithm based on Relevance network Topology improves molecular pathway activity inference

    Directory of Open Access Journals (Sweden)

    Purushotham Arnie

    2011-10-01

    Full Text Available Abstract Background Inferring molecular pathway activity is an important step towards reducing the complexity of genomic data, understanding the heterogeneity in clinical outcome, and obtaining molecular correlates of cancer imaging traits. Increasingly, approaches towards pathway activity inference combine molecular profiles (e.g gene or protein expression with independent and highly curated structural interaction data (e.g protein interaction networks or more generally with prior knowledge pathway databases. However, it is unclear how best to use the pathway knowledge information in the context of molecular profiles of any given study. Results We present an algorithm called DART (Denoising Algorithm based on Relevance network Topology which filters out noise before estimating pathway activity. Using simulated and real multidimensional cancer genomic data and by comparing DART to other algorithms which do not assess the relevance of the prior pathway information, we here demonstrate that substantial improvement in pathway activity predictions can be made if prior pathway information is denoised before predictions are made. We also show that genes encoding hubs in expression correlation networks represent more reliable markers of pathway activity. Using the Netpath resource of signalling pathways in the context of breast cancer gene expression data we further demonstrate that DART leads to more robust inferences about pathway activity correlations. Finally, we show that DART identifies a hypothesized association between oestrogen signalling and mammographic density in ER+ breast cancer. Conclusions Evaluating the consistency of prior information of pathway databases in molecular tumour profiles may substantially improve the subsequent inference of pathway activity in clinical tumour specimens. This de-noising strategy should be incorporated in approaches which attempt to infer pathway activity from prior pathway models.

  8. Fast screening of ketamine in biological samples based on molecularly imprinted photonic hydrogels

    International Nuclear Information System (INIS)

    Graphical abstract: A novel label-free colorimetric chemosensor: with the increase in the concentration of ketamine, the Bragg diffraction peak of MIPHs gradually shifted to the longer wavelength region. Accompanying the peak shift, the color change of MIPHs was also observed obviously: from green to red. Highlights: ► We developed the label-free colorimetric MIPHs for handy and fast screening of ketamine. ► The obvious color change of MIPHs was observed upon ketamine. ► The MIPHs exhibited good sensing abilities in an aqueous environment. ► The sensing mechanisms of the water-compatible MIPHs were investigated. ► The MIPHs were employed to screening ketamine in real biological samples. -- Abstract: A novel label-free colorimetric chemosensor was developed for handy and fast screening of ketamine with high sensitivity and specificity based on molecularly imprinted photonic hydrogels (MIPHs) that combined the colloidal-crystal with molecular imprinting technique. The unique inverse opal arrays with a thin polymer wall in which the imprinted nanocavities of ketamine moleculars distributed allowed high sensitive, quick responsive, specific detection of the target analyte, and good regenerating ability in an aqueous environment. Due to the hierarchical inverse opal structural characteristics, the specific ketamine molecular recognition process can induce obvious swelling of the MIPHs to be directly transferred into visually perceptible optical signal (change in color) which can be detected by the naked eye through Bragg diffractive shifts of ordered macroporous arrays. In order to enhance the recognition ability in aqueous environments, the MIPHs were designed as water-compatible and synthesized in a water–methanol system. The molecular recognition mechanisms were investigated. The proposed MIPHs were successfully employed to screen trace level ketamine in human urine and saliva samples, exhibiting high sensitivity, rapid response, and specificity in the

  9. Electron induced conformational changes of an imine-based molecular switch on a Au(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Lotze, Christian; Henningsen, Nils; Franke, Katharina; Schulze, Gunnar; Pascual, Jose Ignacio [Inst. f. Experimentalphysik, Freie Universitaet Berlin (Germany); Luo, Ying; Haag, Rainer [Inst. f. Organische Chemie, Freie Universitaet Berlin (Germany)

    2009-07-01

    Azobenzene-based molecules exhibit a cis-trans configurational photoisomerisation in solution. Recently, the adsorption properties of azobenzene derivatives have been investigated on different metal surfaces in order to explore the possible changes in the film properties induced by external stimuli. In azobenzene, the diazo-bridge is a key group for the isomerization process. Its interaction with a metal surface is dominated through the N lone-pair electrons, which reduces the efficiency of the conformational change. In order to reduce the molecule-surface interaction, we explore an alternative molecular architecture by substituting the diazo-bridge (-N=N-) of azobenzene by an imine-group (-N=CH-). We have investigated the imine-based compound para-carboxyl-di-benzene-imine (PCI) adsorbed on a Au(111) surface. The carboxylic terminations mediates the formation of strongly bonded molecular dimers, which align in ordered rows preferentially following the fcc regions of the Au(111) herringbone reconstruction. Low temperature scanning tunneling microscopy was used to induce conformational changes between trans and cis state of individual molecules in a molecular monolayer.

  10. Late Holocene climatic changes in Tierra del Fuego based on multiproxy analyses of peat deposits

    OpenAIRE

    Mauquoy, D.; Blaauw, Maarten; van Geel, B; Borromei, A.; M. Quattrocchio; Chambers, F.M.; Possnert, G.

    2004-01-01

    A ca. 1400-yr record from a raised bog in Isla Grande, Tierra del Fuego, Argentina, registers climate fluctuations, including a Medieval Warm Period, although evidence for the 'Little Ice Age' is less clear. Changes in temperature and/or precipitation were inferred from plant macrofossils, pollen, fungal spores, testate amebae, and peat humification. The chronology was established using a C-14 wiggle-matching technique that provides improved age control for at least part of the record compare...

  11. Empleo del método electroquímico acelerado AC-DC-AC para la predicción del tiempo de vida útil de pinturas base agua

    Directory of Open Access Journals (Sweden)

    Bethencourt, M.

    2005-12-01

    Full Text Available In this study an accelerated method for the evaluation of painted metals is proposed. Specifically, the proposed method has been applied in a study of the process of degradation of two water-based paints applied to a carbon steel surface. The technique is based on the application of cycles combining measurement of electrochemical impedance spectra, cathodic polarisation steps, and recording of the evolution of the corrosion potential of the system in function of time. The results obtained from this method are compared with those obtained from studying the evolution of the impedance spectra of both systems in function of the time of immersion, for periods of immersion of the order of 200 days.

    En este trabajo se propone un método acelerado de evaluación de metales pintados. Concretamente, el método se ha aplicado al estudio del proceso de degradación de dos pinturas de base agua aplicadas sobre un acero al carbono. El método está basado en la aplicación de ciclos en los que se combinan la medida de espectros de impedancia electroquímica, etapas de polarización catódica y el registro de la evolución del potencial de corrosión del sistema en función del tiempo. Los resultados obtenidos mediante este método se comparan con los obtenidos al estudiar la evolución de los espectros de impedancia de ambos sistemas en función del tiempo de inmersión, para periodos de inmersión del orden de 200 d.

  12. Titanium compounds as catalysts of higher alpha-olefin-based super-high-molecular polymers synthesis

    Science.gov (United States)

    Konovalov, K. B.; Kazaryan, M. A.; Manzhay, V. N.; Vetrova, O. V.

    2016-01-01

    The synthesis of polymers of 10 million or more molecular weight is a difficult task even in a chemical lab. Higher α-olefin-based polymer agents of such kind have found a narrow but quite important niche, the reduction of drag in the turbulent flow of hydrocarbon fluids such as oil and oil-products. In its turn, searching for a catalytic system capable to produce molecules of such a high length and to synthesize polymers of a low molecular-mass distribution is part of a global task of obtaining a high-quality product. In this paper we had observed a number of industrial catalysts with respect to their suitability for higher poly-α- olefins synthesis. A number samples representing copolymers of 1-hexene with 1-decene obtained on a previous generation catalyst, a microsphere titanium chloride catalytic agent had been compared to samples synthesized using a titanium-magnesium catalyst both in solution and in a polymer medium.

  13. Surface plasmon resonance based optical fiber riboflavin sensor by using molecularly imprinted gel

    Science.gov (United States)

    Verma, Roli; Gupta, Banshi D.

    2013-05-01

    We report the fabrication and characterization of surface plasmon resonance (SPR) based optical fiber riboflavin/vitamin B2 sensor using combination of colloidal crystal templating and molecularly imprinted gel. The sensor works on spectral interrogation method. The operating range of the sensor lies from 0 μg/ml to 320 μg/ml, the suitable amount of intakes of riboflavin recommended for different age group. The SPR spectra show blue shift with increasing concentration of riboflavin, which is due to the interaction of riboflavin molecule over specific binding sites caused by molecular imprinting. The present sensor has many advantageous features such as fast response, small probe size, low cost and can be used for remote/online monitoring.

  14. Single molecular switch based on thiol tethered iron(II)clathrochelate on gold

    International Nuclear Information System (INIS)

    Molecular electronics has been associated with high density nano-electronic devices. Developments of molecular electronic devices were based on reversible switching of molecules between the two conductive states. In this paper, self-assembled monolayers of dodecanethiol (DDT) and thiol tethered iron(II)clathrochelate (IC) have been prepared on gold film. The electrochemical and electronic properties of IC molecules inserted into the dodecanethiol monolayer (IC-DDT SAM) were investigated using voltammetric, electrochemical impedance spectroscopy (EIS), scanning tunneling microscopy (STM) and cross-wire tunneling measurements. The voltage triggered switching behaviour of IC molecules on mixed SAM was demonstrated. Deposition of polyaniline on the redox sites of IC-DDT SAM using electrochemical polymerization of aniline was performed in order to confirm that this monolayer acts as nano-patterned semiconducting electrode surface.

  15. Electron induced conformational changes of imine-based molecular switches on a Au(111) surface

    Energy Technology Data Exchange (ETDEWEB)

    Lotze, Christian; Pascual, Jose Ignacio [Inst. f. Experimentalphysik, Freie Universitaet Berlin (Germany); Luo, Ying; Haag, Rainer [Inst. f. Organische Chemie, Freie Universitaet Berlin (Germany)

    2010-07-01

    Organic molecules exhibiting controllable reversible transitions between isomeric states on surfaces promise an enormous potential in the field of molecular electronics. The reversible cis-trans isomerization of azobenzene-like molecules is often hindered by a strong interaction of the nitrogen lone-pair electrons of the di-azo bridge (-N=N-) with the substrate. In order to improve the isomerization capabilities, the di-azo bridge is substituted by an imine-group (-N=CH-). Here, we use low-temperature scanning tunneling microscopy to investigate a sub-monolayer of the newly designed imine-based molecular switch NPCI on a Au(111) surface. Its carboxylic termination mediates the formation of hydrogen-bonded dimers, which align in rows along the herringbone reconstruction. We were able to induce reversible conformational changes with the tunneling electrons from the STM tip and determine its efficiency as a function of electron energy.

  16. A nitrogen-vacancy spin based molecular structure microscope using multiplexed projection reconstruction

    CERN Document Server

    Lazariev, Andrii

    2015-01-01

    Methods and techniques to measure and image beyond the state-of-the-art have always been influential in propelling basic science and technology. Because current technologies are venturing into nanoscopic and molecular-scale fabrication, atomic-scale measurement techniques are inevitable. One such emerging sensing method uses the spins associated with nitrogen-vacancy (NV) defects in diamond. The uniqueness of this NV sensor is its atomic size and ability to perform precision sensing under ambient conditions conveniently using light and microwaves (MW). These advantages have unique applications in nanoscale sensing and imaging of magnetic fields from nuclear spins in single biomolecules. During the last few years, several encouraging results have emerged towards the realization of an NV spin-based molecular structure microscope. Here, we present a projection-reconstruction method that retrieves the three-dimensional structure of a single molecule from the nuclear spin noise signatures. We validate this method ...

  17. Molecular Solutions for the Set-Partition Problem on Dna-Based Computing

    Directory of Open Access Journals (Sweden)

    Sientang Tsai

    2013-12-01

    Full Text Available Consider that the every element in a finite set S h aving q elements is a positive integer. The set-par tition problem is to determine whether there is a subset T ⊆ S such that , ∑ ∑ ∈ ∈ = T x T x x x where T = { x| x ∈ S and x ∉ T } . This research demonstrates that molecular operati ons can be applied to solve the set-partition problem. In order to perform this goal, we offer tw o DNA-based algorithms, an unsigned parallel adder and a parallel Exclusive-OR (XOR operation, that f ormally demonstrate our designed molecular solution s for solving the set-partition problem.

  18. Determination of Quantum Chemistry Based Force Fields for Molecular Dynamics Simulations of Aromatic Polymers

    Science.gov (United States)

    Jaffe, Richard; Langhoff, Stephen R. (Technical Monitor)

    1995-01-01

    Ab initio quantum chemistry calculations for model molecules can be used to parameterize force fields for molecular dynamics simulations of polymers. Emphasis in our research group is on using quantum chemistry-based force fields for molecular dynamics simulations of organic polymers in the melt and glassy states, but the methodology is applicable to simulations of small molecules, multicomponent systems and solutions. Special attention is paid to deriving reliable descriptions of the non-bonded and electrostatic interactions. Several procedures have been developed for deriving and calibrating these parameters. Our force fields for aromatic polyimide simulations will be described. In this application, the intermolecular interactions are the critical factor in determining many properties of the polymer (including its color).

  19. Anatomía Artística: Bases Anatómicas del Retrato Escultórico Realista

    OpenAIRE

    Jiménez Mateos, Miguel Ángel

    1999-01-01

    El saber sobre la estructura del organismo humano ha ido creciendo siguiendo las bases de cualquier otra ciencia. La curiosidad de los propios humanos los condujo a observar los organismos y a intentar indagar en ellos más allá de los límites de la observación superficial, penetrando en su interior dividiendo sus partes. “Anatomía: cortar repetidas veces”. La Anatomía analiza las relaciones causales que tanto la estructura como la función guardan entre sí, así como las modificaciones de índol...

  20. A molecular beacon-based DNA switch for reversible pH sensing in vesicles and live cells.

    Science.gov (United States)

    Narayanaswamy, Nagarjun; Nair, Raji R; Suseela, Y V; Saini, Deepak Kumar; Govindaraju, T

    2016-07-01

    In this Communication, a molecular beacon-based DNA switch (LMB) is developed as an efficient and reversible pH sensing probe. Remarkably, LMB exhibited reversible structural transition between the closed (molecular beacon) and open (A-motif) states very efficiently in synthetic vesicles and live cells without the need for any transfection agents. PMID:27338808

  1. Bases anatómicas del sueño Anatomical basis of sleep

    Directory of Open Access Journals (Sweden)

    J. L. Velayos

    2007-01-01

    Full Text Available El sueño es un estado biológico activo, periódico, en el que se distinguen las etapas NREM y REM, que se alternan sucesivamente durante la noche. Intervienen los relojes biológicos en la modulación del sistema, así como neurotransmisores específicos. Se trata de una red neuronal compleja, en la que intervienen diversas zonas del sistema nervioso central. Los procesos oníricos están controlados además de forma neural. Se resume la historia de las investigaciones sobre el tema, desde el siglo XIX hasta nuestra época. Hay que destacar los recientes descubrimientos de Lugaresi y su equipo, que, al describir el insomnio familiar grave, dieron importancia al núcleo dorsomedial del tálamo en la instauración de la fase de sueño profundo. Al grupo de Reinoso se debe el hallazgo de que el "director de orquesta" en la instauración del sueño REM es la zona ventral paramediana del núcleo reticular pontino oralSleep is an active and periodic biological state composed of NREM and REM phases, which alternate during the night. Both biological clocks and specific neurotransmitters are involved in the modulation of this system. It is a complex neuronal network in which several areas of the central nervous system are involved. The oneiric processes are also controlled neurally. This work summarises the history of the investigations on this topic from the 19th century to date. It is worth mentioning the recent findings of Lugaresi and colleages who described fatal familial insomnia, a disease that helped to show the importance of the mediodorsal thalamic nucleus in the genesis of slow-wave sleep. Reinoso´s group found out that the paramedian ventral area of the oral pontine reticular nucleus is the conductor in the establishment of REM sleep.

  2. Claus moleculars del plegament oxidatiu

    OpenAIRE

    Ventura Zamora, Salvador

    2006-01-01

    Després de ser sintetitzades, les proteïnes es plegan per adquirir la seva funció. Encara que aquest procés, anomenat plegament oxidatiu, ha estat investigat en profunditat, s'havien descurat aspectes claus com són la termodinàmica o la predicció computacional. Investigadors de la UAB van desmuntar aquest puzle i de les seves conclusions es desprèn una teoria que unifica els estudis de plegament oxidatiu realitzats fins al moment.

  3. Rectifying Properties of a Nitrogen/Boron-Doped Capped-Carbon-Nanotube-Based Molecular Junction

    Institute of Scientific and Technical Information of China (English)

    ZHAO Peng; LIU De-Sheng; ZHANG Ying; WANG Pei-Ji; ZHANG Zhong

    2011-01-01

    @@ Based on the non-equilibrium Green's function method and first-principles density functional theory calculations, we investigate the electronic transport properties of a nitrogen/boron-doped capped-single-walled carbonnanotube-based molecular junction.Obvious rectifying behavior is observed and it is strongly dependent on the doping site.The best rectifying performance can be carried out when the nitrogen/boron atom dopes at a carbon site in the second layer.Moreover, the rectifying performance can be further improved by adjusting the distance between the Cso nanotube caps.%Based on the non-equilibrium Green's function method and first-principles density functional theory calculations, we investigate the electronic transport properties of a nitrogen/boron-doped capped-single-walled carbon-nanotube-based molecular junction. Obvious rectifying behavior is observed and it is strongly dependent on the doping site. The best rectifying performance can be carried out when the nitrogen/boron atom dopes at a carbon site in the second layer. Moreover, the rectifying performance can be further improved by adjusting the distance between the C60 nanotube caps.

  4. High performance computing for three-dimensional agent-based molecular models.

    Science.gov (United States)

    Pérez-Rodríguez, G; Pérez-Pérez, M; Fdez-Riverola, F; Lourenço, A

    2016-07-01

    Agent-based simulations are increasingly popular in exploring and understanding cellular systems, but the natural complexity of these systems and the desire to grasp different modelling levels demand cost-effective simulation strategies and tools. In this context, the present paper introduces novel sequential and distributed approaches for the three-dimensional agent-based simulation of individual molecules in cellular events. These approaches are able to describe the dimensions and position of the molecules with high accuracy and thus, study the critical effect of spatial distribution on cellular events. Moreover, two of the approaches allow multi-thread high performance simulations, distributing the three-dimensional model in a platform independent and computationally efficient way. Evaluation addressed the reproduction of molecular scenarios and different scalability aspects of agent creation and agent interaction. The three approaches simulate common biophysical and biochemical laws faithfully. The distributed approaches show improved performance when dealing with large agent populations while the sequential approach is better suited for small to medium size agent populations. Overall, the main new contribution of the approaches is the ability to simulate three-dimensional agent-based models at the molecular level with reduced implementation effort and moderate-level computational capacity. Since these approaches have a generic design, they have the major potential of being used in any event-driven agent-based tool. PMID:27372059

  5. Molecular dynamics simulation based on the multi-component molecular orbital method: Application to H5O2+,D5O2+,andT5O2+

    International Nuclear Information System (INIS)

    Graphical abstract: Molecular dynamics method based on multi-component molecular orbital method was applied to basic hydrogen bonding systems, H5O2+, and its isotopomers (D5O2+andT5O2+). Highlights: ► Molecular dynamics method with nuclear quantum effect was developed. ► Multi-component molecular orbital method was used as ab initio MO calculation. ► Developed method applied to basic hydrogen bonding system, H5O2+, and isotopomers. ► O⋯O vibrational stretching reflected to the distribution of protonic wavefunctions. ► H/D/T isotope effect was also analyzed. - Abstract: We propose a molecular dynamics (MD) method based on the multi-component molecular orbital (MCMO) method, which takes into account the quantum effect of proton directly, for the detailed analyses of proton transfer in hydrogen bonding system. The MCMO based MD (MCMO-MD) method is applied to the basic structures, H5O2+ (called “Zundel ion”), and its isotopomers (D5O2+andT5O2+). We clearly demonstrate the geometrical difference of hydrogen bonded O⋯O distance induced by H/D/T isotope effect because the O⋯O in H-compound was longer than that in D- or T-compound. We also find the strong relation between stretching vibration of O⋯O and the distribution of hydrogen bonded protonic wavefunction because the protonic wavefunction tends to delocalize when the O⋯O distance becomes short during the dynamics. Our proposed MCMO-MD simulation is expected as a powerful tool to analyze the proton dynamics in hydrogen bonding systems.

  6. Generalized energy-based fragmentation approach and its applications to macromolecules and molecular aggregates.

    Science.gov (United States)

    Li, Shuhua; Li, Wei; Ma, Jing

    2014-09-16

    Conspectus The generalized energy-based fragmentation (GEBF) approach provides a very simple way of approximately evaluating the ground-state energy or properties of a large system in terms of ground-state energies of various small "electrostatically embedded" subsystems, which can be calculated with any traditional ab initio quantum chemistry (X) method (X = Hartree-Fock, density functional theory, and so on). Due to its excellent parallel efficiency, the GEBF approach at the X theory level (GEBF-X) allows full quantum mechanical (QM) calculations to be accessible for systems with hundreds and even thousands of atoms on ordinary workstations. The implementation of the GEBF approach at various theoretical levels can be easily done with existing quantum chemistry programs. This Account reviews the methodology, implementation, and applications of the GEBF-X approach. This method has been successfully applied to optimize the structures of various large systems including molecular clusters, polypeptides, proteins, and foldamers. Such investigations could allow us to elucidate the origin and nature of the cooperative interaction in secondary structures of long peptides or the driving force of the self-assembly processes of aromatic oligoamides. These GEBF-based QM calculations reveal that the structures and stability of various complex systems result from a subtle balance of many types of noncovalent interactions such as hydrogen bonding and van der Waals interactions. The GEBF-based ab initio molecular dynamics (AIMD) method also allows the investigation of dynamic behaviors of large systems on the order of tens of picoseconds. It was demonstrated that the conformational dynamics of two model peptides predicted by GEBF-based AIMD are noticeably different from those predicted by the classical force field MD method. With the target of extending QM calculations to molecular aggregates in the condensed phase, we have implemented the GEBF-based multilayer hybrid models

  7. Guest-responsive structural adaptation of a rationally-designed molecular tweezer based on Tröger’s base

    Indian Academy of Sciences (India)

    Ishita Neogi; Alankriti Bajpai; Jarugu Narasimha Moorthy

    2014-09-01

    We have designed and synthesized a modified Tröger’s base TB in which the sterically-rigidified aryl rings that protrude into its groove were envisaged to preclude self-inclusion. From a limited preliminary experimentation, TB has been found to exhibit guest inclusion. The X-ray determined structures of the crystals of guest-free TB and its inclusion compounds with acetonitrile and -dichlorobenzene reveal remarkable adaptability of the TB core to undergo subtle structural changes in response to the guest that is included. The structural analyses demonstrate the fact that TB behaves like a molecular tweezer.

  8. DNA molecular wire-based nanoelectronics: New insight and high frequency AC electrical characterization

    Science.gov (United States)

    Wibowo, Denni Ari

    While recent research in electron-transport mechanism on a double strands DNA seems to converge into a consensus, experiments in direct electrical measurements on a long DNA molecules still lead to a conflicting result. This research investigates experimentally the attachment of DNA molecular wire to high aspect ratio three-dimensional (3D) metal electrode and the effect of temperature to its AC electrical conductivity. The 3-D microelectrode was built on a silicone oxide substrate using patterned thick layers of negative tone photoresist covered by sputtered gold on the top surface. Attachment of lambda-DNA to the microelectrode was demonstrated using oligonucleotide-DNA phosphate backbone ligation and thiol-gold covalent bonding. Electrical characterizations based on I-V and AC impedance analysis of several repeatable data points of attachment with varying lambda-DNA concentration (500 ng/microL to 0.0625 ng/microL) showed measurable and significant conductivity of lambda-DNA molecular wires. Further study was carried out by measuring I-V and impedance while ramping up the temperature to reach complete denaturation (~1100C) resulting in no current transduction. Subsequent re-annealing of the DNA through incubation in TM buffer at annealing temperature (~900C) resulted in recovery of electrical conduction, providing a strong proof that DNA molecular wire is the one generate the electrical conductivity. lambda-DNA molecular wires reported to have differing impedance response at two temperature regions: impedance increases (conductivity decrease) between 40C -- 400C, and then decreases from 400C until DNA completely denatured (~1100C). The increase conductivity after 400C is an experimental support the long distance electron transport mechanism referred as "thermal hopping" mechanism. We believe that this research represents a significant departure from previous studies and makes unique contributions through (i) modification of DNA attachment methods has increase

  9. Systematic studies of Australian stipoid grasses (Austrostipa based on micro-morphological and molecular characteristics

    Directory of Open Access Journals (Sweden)

    BETTY MAULIYA BUSTAM

    2010-01-01

    Full Text Available Bustam BM (2010 Systematic studies of Australian stipoid grasses (Austrostipa based on micro-morphological and molecular characteristics. Biodiversitas 11: 9-14. This research is one of many studies on stipoid grasses organized by the International Stipeae Working Group (ISWG. This research tested the subgeneric classification of Austrostipa proposed by Jacobs and Everett (1996 and tested how informative the micro morphological characters used. Data were collected from herbarium specimens of 36 species (33 species of Austrostipa, two species of Hesperostipa and one species of Anemanthele at Royal Botanic Gardens, Sydney. Twenty eight micro morphological characters were used. The data were collected from both adaxial and abaxial surfaces of leaves, and from the lemma epidermis using a scanning electron microscope (SEM. ISWG provided the molecular data. Parsimony analysis and a distance method (Unweighteic Pair Group with Arithmatic Mean: UPGMA were used to analyze mico morphological and molecular data separately. Only UPGMA analysis was used to analyze the combined data. The results support the monophyly of Austrostipa. However, there is a little support for the subgeneric classification of Austrostipa proposed by Jacobs and Everett (1996, other than for the consistent recognition of Falcatae. The characters for comparisons between genera are too homoplasious at this level and do not contain enough information for analyses at subgeneric level, a problem apparently shared with the DNA sequences.

  10. Mass-spectrometry-based molecular characterization of extracellular vesicles: lipidomics and proteomics.

    Science.gov (United States)

    Kreimer, Simion; Belov, Arseniy M; Ghiran, Ionita; Murthy, Shashi K; Frank, David A; Ivanov, Alexander R

    2015-06-01

    This review discusses extracellular vesicles (EVs), which are submicron-scale, anuclear, phospholipid bilayer membrane enclosed vesicles that contain lipids, metabolites, proteins, and RNA (micro and messenger). They are shed from many, if not all, cell types and are present in biological fluids and conditioned cell culture media. The term EV, as coined by the International Society of Extracellular Vesicles (ISEV), encompasses exosomes (30-100 nm in diameter), microparticles (100-1000 nm), apoptotic blebs, and other EV subsets. EVs have been implicated in cell-cell communication, coagulation, inflammation, immune response modulation, and disease progression. Multiple studies report that EV secretion from disease-affected cells contributes to disease progression, e.g., tumor niche formation and cancer metastasis. EVs are attractive sources of biomarkers due to their biological relevance and relatively noninvasive accessibility from a range of physiological fluids. This review is focused on the molecular profiling of the protein and lipid constituents of EVs, with emphasis on mass-spectrometry-based "omic" analytical techniques. The challenges in the purification and molecular characterization of EVs, including contamination of isolates and limitations in sample quantities, are discussed along with possible solutions. Finally, the review discusses the limited but growing investigation of post-translational modifications of EV proteins and potential strategies for future in-depth molecular characterization of EVs. PMID:25927954

  11. Molecular profiling for genetic variability in Capsicum species based on ISSR and RAPD markers.

    Science.gov (United States)

    Thul, Sanjog T; Darokar, Mahendra P; Shasany, Ajit K; Khanuja, Suman P S

    2012-06-01

    The taxonomic identity of Capsicum species is found to be difficult as it displays variations at morpho-chemical characters. Twenty-two accessions of six Capsicum species, namely, C. annuum, C. baccatum, C. chinense, C. eximium, C. frutescens, and C. luteum were investigated for phenotypic diversity based on flower color and for genetic differences by molecular makers. The genetic cluster analyses of 27 RAPD and eight ISSR primers, respectively, revealed genetic similarities in the ranges of 23-88% and 11-96%. Principal component analysis of the pooled RAPD and ISSR data further supports the genetic similarity and groupings. Different species showed variations in relation to corolla shade of flower. C. annuum accessions formed a single cluster in the molecular analysis as maintaining their flower characteristic. C. chinense accession shared flower features with the accessions of C. frutescens and were found to be closer at genotypic level. C. luteum was found to be rather closer to C. baccatum complex, both phenotypically and genetically. The only accession of C. eximium presenting purple flowers falls apart from the groupings. The floral characteristics and the molecular markers are found to be useful toward the delineation of the species specificity in Capsicum collection and identification of genetic stock. PMID:21861246

  12. Molecular phylogeny of the lionfish genera Dendrochirus and Pterois (Scorpaenidae, Pteroinae) based on mitochondrial DNA sequences.

    Science.gov (United States)

    Kochzius, Marc; Söller, Rainer; Khalaf, Maroof A; Blohm, Dietmar

    2003-09-01

    This study investigates the molecular phylogeny of seven lionfishes of the genera Dendrochirus and Pterois. MP, ML, and NJ phylogenetic analysis based on 964 bp of partial mitochondrial DNA sequences (cytochrome b and 16S rDNA) revealed two main clades: (1) "Pterois" clade (Pterois miles and Pterois volitans), and (2) "Pteropterus-Dendrochirus" clade (remainder of the sampled species). The position of Dendrochirus brachypterus either basal to the main clades or in the "Pteropterus-Dendrochirus" clade cannot be resolved. However, the molecular phylogeny did not support the current separation of the genera Pterois and Dendrochirus. The siblings P. miles and P. volitans are clearly separated and our results support the proposed allopatric or parapatric distribution in the Indian and Pacific Ocean. However, the present analysis cannot reveal if P. miles and P. volitans are separate species or two populations of a single species, because the observed separation in different clades can be either explained by speciation or lineage sorting. Molecular clock estimates for the siblings P. miles and P. volitans suggest a divergence time of 2.4-8.3 mya, which coincide with geological events that created vicariance between populations of the Indian and Pacific Ocean. PMID:12927126

  13. Computational prediction and experimental selectivity coefficients for hydroxyzine and cetirizine molecularly imprinted polymer based potentiometric sensors

    International Nuclear Information System (INIS)

    Graphical abstract: -- Highlights: •Possible configurations template/monomer complexes were designed and optimized. •Effect of the electrostatic force on the selectivity of MIPs was investigated. •A correlation between selectivity of sensors and a charge distribution was obtained. -- Abstract: In spite of the increasing usages number of molecularly imprinted polymers (MIPs) in many scientific applications, the theoretical aspects of participating intra molecular forces are not fully understood. This work investigates effects of the electrostatic force, the Mulliken charge and the role of cavity's backbone atoms on the selectivity of MIPs. Moreover, charge distribution, which is a computational parameter, was proposed for the prediction of the selectivity coefficients of MIP-based sensors. In the computational approaches and experimental study, methacrylic acid (MAA) was chosen as the functional monomer and ethylene glycol dimethacrylate (EGDMA) as the cross linker for hydroxyzine and cetirizine imprinted polymers. Ab initio, DFT B3LYP method was carried out on molecular optimization. With regard to results obtained from molecules optimization and hydrogen bonding properties, possible configurations of 1:n (n ≤ 5) template/monomer complexes were designed and optimized. The binding energy for each complex in gas phase was calculated. Depending on the most stable configuration, hydroxyzine and cetirizine imprinted polymer models were designed. The calculations including the porogen were also investigated. The theoretical charge distributions for the template and some potential interfering molecules were calculated. The results showed a correlation between the selectivity coefficients and the theoretical charge distributions. The results surprisingly show that charge distribution based model was able to predict the selectivity coefficients of MIP based potentiometric sensors

  14. Detergent-dispersant additives based on high-molecular-weight alkylphenols

    Energy Technology Data Exchange (ETDEWEB)

    Kulieva, K.N.; Namazova, I.I.; Ismailova, N.D.; Dorokhina, I.V.

    1988-09-01

    This article describes the synthesis and investigation of Mannich bases produced for alkylphenols, obtained in turn from ethylene oligomers. These oligomers are the still bottoms from distillation products of high-temperature oligomerization of ethylene in the presence of triethylaluminum. Two narrow cuts obtained from the distillation of oligomer fraction were used to study the influence of ethylene oligomer molecular weight on the properties of the additives. The additives were blended in DS-11 oil to evaluate their detergency-dispersancy and other properties. Comparison blends were made with succinimide additives based on the same ethylene oligomers. The Mannich bases give improvements in the oxidation resistance, anticorrosion properties, and detergency-dispersancy of the DS-11 diesel oil.

  15. Comparative Molecular Mechanics and Quantum Mechanics Study of Microhydration of Nucleic Acid Bases

    CERN Document Server

    Lino, J; Deriabina, A; Velasco, M; Poltev, V

    2013-01-01

    DNA is the most important biological molecule, and its hydration contributes essentially to the structure and functions of the double helix. We analyze the microhydration of the individual bases of nucleic acids and their methyl derivatives using methods of molecular mechanics (MM) with the Poltev-Malenkov (PM), AMBER and OPLS force fields, as well as ab initio Quantum Mechanics (QM) calculations at MP2/6-31G(d,p) level of theory. A comparison is made between the calculated interaction energies and the experimental enthalpies of microhydration of bases, obtained from mass spectrometry at low temperatures. Each local water-base interaction energy minimum obtained with MM corresponds to the minimum obtained with QM. General qualitative agreement was observed in the geometrical characteristics of the local minima obtained via the two groups of methods. MM minima correspond to slightly more coplanar structures than those obtained via QM methods, and the absolute MM energy values overestimate corresponding values ...

  16. Integrated biophysical studies implicate partial unfolding of NBD1 of CFTR in the molecular pathogenesis of F508del cystic fibrosis.

    Science.gov (United States)

    Wang, Chi; Protasevich, Irina; Yang, Zhengrong; Seehausen, Derek; Skalak, Timothy; Zhao, Xun; Atwell, Shane; Spencer Emtage, J; Wetmore, Diana R; Brouillette, Christie G; Hunt, John F

    2010-10-01

    The lethal genetic disease cystic fibrosis is caused predominantly by in-frame deletion of phenylalanine 508 in the cystic fibrosis transmembrane conductance regulator (CFTR). F508 is located in the first nucleotide-binding domain (NBD1) of CFTR, which functions as an ATP-gated chloride channel on the cell surface. The F508del mutation blocks CFTR export to the surface due to aberrant retention in the endoplasmic reticulum. While it was assumed that F508del interferes with NBD1 folding, biophysical studies of purified NBD1 have given conflicting results concerning the mutation's influence on domain folding and stability. We have conducted isothermal (this paper) and thermal (accompanying paper) denaturation studies of human NBD1 using a variety of biophysical techniques, including simultaneous circular dichroism, intrinsic fluorescence, and static light-scattering measurements. These studies show that, in the absence of ATP, NBD1 unfolds via two sequential conformational transitions. The first, which is strongly influenced by F508del, involves partial unfolding and leads to aggregation accompanied by an increase in tryptophan fluorescence. The second, which is not significantly influenced by F508del, involves full unfolding of NBD1. Mg-ATP binding delays the first transition, thereby offsetting the effect of F508del on domain stability. Evidence suggests that the initial partial unfolding transition is partially responsible for the poor in vitro solubility of human NBD1. Second-site mutations that increase the solubility of isolated F508del-NBD1 in vitro and suppress the trafficking defect of intact F508del-CFTR in vivo also stabilize the protein against this transition, supporting the hypothesize that it is responsible for the pathological trafficking of F508del-CFTR. PMID:20687163

  17. Integrated biophysical studies implicate partial unfolding of NBD1 of CFTR in the molecular pathogenesis of F508del cystic fibrosis

    Science.gov (United States)

    Wang, Chi; Protasevich, Irina; Yang, Zhengrong; Seehausen, Derek; Skalak, Timothy; Zhao, Xun; Atwell, Shane; Spencer Emtage, J; Wetmore, Diana R; Brouillette, Christie G; Hunt, John F

    2010-01-01

    The lethal genetic disease cystic fibrosis is caused predominantly by in-frame deletion of phenylalanine 508 in the cystic fibrosis transmembrane conductance regulator (CFTR). F508 is located in the first nucleotide-binding domain (NBD1) of CFTR, which functions as an ATP-gated chloride channel on the cell surface. The F508del mutation blocks CFTR export to the surface due to aberrant retention in the endoplasmic reticulum. While it was assumed that F508del interferes with NBD1 folding, biophysical studies of purified NBD1 have given conflicting results concerning the mutation's influence on domain folding and stability. We have conducted isothermal (this paper) and thermal (accompanying paper) denaturation studies of human NBD1 using a variety of biophysical techniques, including simultaneous circular dichroism, intrinsic fluorescence, and static light-scattering measurements. These studies show that, in the absence of ATP, NBD1 unfolds via two sequential conformational transitions. The first, which is strongly influenced by F508del, involves partial unfolding and leads to aggregation accompanied by an increase in tryptophan fluorescence. The second, which is not significantly influenced by F508del, involves full unfolding of NBD1. Mg-ATP binding delays the first transition, thereby offsetting the effect of F508del on domain stability. Evidence suggests that the initial partial unfolding transition is partially responsible for the poor in vitro solubility of human NBD1. Second-site mutations that increase the solubility of isolated F508del-NBD1 in vitro and suppress the trafficking defect of intact F508del-CFTR in vivo also stabilize the protein against this transition, supporting the hypothesize that it is responsible for the pathological trafficking of F508del-CFTR. PMID:20687163

  18. Laser-based methods for the analysis of low molecular weight compounds in biological matrices.

    Science.gov (United States)

    Kiss, András; Hopfgartner, Gérard

    2016-07-15

    Laser-based desorption and/or ionization methods play an important role in the field of the analysis of low molecular-weight compounds (LMWCs) because they allow direct analysis with high-throughput capabilities. In the recent years there were several new improvements in ionization methods with the emergence of novel atmospheric ion sources such as laser ablation electrospray ionization or laser diode thermal desorption and atmospheric pressure chemical ionization and in sample preparation methods with the development of new matrix compounds for matrix-assisted laser desorption/ionization (MALDI). Also, the combination of ion mobility separation with laser-based ionization methods starts to gain popularity with access to commercial systems. These developments have been driven mainly by the emergence of new application fields such as MS imaging and non-chromatographic analytical approaches for quantification. This review aims to present these new developments in laser-based methods for the analysis of low-molecular weight compounds by MS and several potential applications. PMID:27107904

  19. El pensamiento "economicista", base ideológica del modelo neoliberal

    Directory of Open Access Journals (Sweden)

    Luca Marsi

    2009-12-01

    Full Text Available El presente trabajo propone una reflexión crítica sobre cómo puede enfocarse el estudio de la ideología dominante del modelo neoliberal. A partir de un análisis de los rasgos propios de la llamada sociedad postmoderna, se estudian los aspectos fundamentales del pensamiento “economicista”, fundación ideológica y axiológica sobre la que descansa el poder de las élites económicas dominantes. Dentro de este marco analítico, se hace especial hincapié en el papel desempeñado por las multinacionales para la elaboración e implementación del proyecto ideológico neoliberal, pero sin olvidar que la labor de dichas empresas forma parte de un intenso y coherente “trabajo de equipo”, llevado a cabo por múltiples y variadas instituciones políticas, sociales, económicas y culturales._____________________ABSTRACT:This paper intends to study the predominant ideology of neoliberalism. Starting from the analysis of the features of the so called post-modern society, it studies the nature of the “economicism”, that is, the ideological and axiological foundation on which the economic elites build their political power. This paper stresses, in particular, the role of the multinational companies to conceive and to implement the ideological strategies of the neoliberal system. However, it also emphasizes that the task of the multinational firms is only one part of a wider “teamwork”, carried out by a complex network of political, social, economic and cultural institutions.

  20. Religioni e ateismi: una complexio oppositorum alla base del neo-separatismo europeo

    Directory of Open Access Journals (Sweden)

    Nicola Colaianni

    2011-06-01

    Full Text Available Testo della relazione svolta al Colloquio internazionale La laicità nella costruzione dell’Europa. Dualità del potere e neutralità religiosa, svoltosi in Bari il 4-5 novembre 2010 per iniziativa della Facoltà di Giurisprudenza dell’Università di Bari “Aldo Moro”, del Centre d’études internationales sur la romanité Université de La Rochelle e dell’Unità di ricerca “Giorgio La Pira” CNR – Università di Roma “La Sapienza”. Lo scritto, che sarà pubblicato negli atti del Colloquio, è destinato agli Studi in onore di Rinaldo Bertolino.SOMMARIO: 1. Il dialogo dell’Unione europea con le organizzazioni confessionali e non – 2. Il separatismo statunitense – 3. Il neo-separatismo europeo – 4. La complexio oppositorum nell’elaborazione cattolica … - 5 … e in quella secolare – 6. Il separatismo pluralistico europeo (e americano.ABSTRACTReligions and Atheisms: a Complexio Oppositorum at hearth of the European New-SeparatismThe European Union is not interested in religious phenomenon. It’s a form of separatism between State and Church. Yet the last Treaty about the Union functioning stated an “open, transparent and regular dialogue” between the Union and the Churches and the philosophical or non-confessional organizations alike. So religions and atheisms, the exact opposites, are not only recognized but also linked as complexio oppositorum. That originates a pluralistic separatism. By means of constitutional law research this paper demonstrates that this new-separatism is new for the Europe but usual for the U.S. and therefore it contributes a long way towards a rapprochement between Europe and America from the constitutional point of wiew.

  1. Synthesis and electrical properties of fullerene-based molecular junctions on silicon substrate

    OpenAIRE

    GUERIN,D; Lenfant, S.; Godey, S.; Vuillaume, D.

    2010-01-01

    We report the synthesis and the electrical properties of fullerene-based molecular junctions on silicon substrate in which the highly \\pi-conjugated molecule C60 (\\pi quantum well) is isolated from the electrodes by alkyl chains (\\sigma tunnel barriers). Initially, the Si/SiO2/\\sigmaC60 architecture was prepared either by sequential synthesis (3 different routes) or by direct grafting of the presynthesized C60-\\sigma-Si(OEt)3 molecule. We described the chemical synthesis of these routes and t...

  2. Liposome Formulation of Fullerene-Based Molecular Diagnostic and Therapeutic Agents

    Directory of Open Access Journals (Sweden)

    Zhiguo Zhou

    2013-10-01

    Full Text Available Fullerene medicine is a new but rapidly growing research subject. Fullerene has a number of desired structural, physical and chemical properties to be adapted for biological use including antioxidants, anti-aging, anti-inflammation, photodynamic therapy, drug delivery, and magnetic resonance imaging contrast agents. Chemical functionalization of fullerenes has led to several interesting compounds with very promising preclinical efficacy, pharmacokinetic and safety data. However, there is no clinical evaluation or human use except in fullerene-based cosmetic products for human skincare. This article summarizes recent advances in liposome formulation of fullerenes for the use in therapeutics and molecular imaging.

  3. Hydration of methanol in water. A DFT-based molecular dynamics study

    CERN Document Server

    Van Erp, T S; Erp, Titus S. van; Meijer, Evert Jan

    2000-01-01

    We studied the hydration of a single methanol molecule in aqueous solution by first-principle DFT-based molecular dynamics simulation. The calculations show that the local structural and short-time dynamical properties of the water molecules remain almost unchanged by the presence of the methanol, confirming the observation from recent experimental structural data for dilute solutions. We also see, in accordance with this experimental work, a distinct shell of water molecules that consists of about 15 molecules. We found no evidence for a strong tangential ordering of the water molecules in the first hydration shell.

  4. Carnitine tailored Sensors on Surface Molecular Imprinting based on Graphene layers

    OpenAIRE

    Truta, Liliana A.A.N.A.; Nádia S. Ferreira; M. Goreti F. Sales

    2013-01-01

    III Jornadas de Electroquímica e Inovação (Electroquímica e Nanomateriais), na Universidade de Trás-os-Montes e Alto Douro, Vila Real, 16 a 17 de Setembro de 2013 A new biosensor based on surface molecularly imprinted polymer (MIP) on graphene layers was successfully developed. It consists in a 3D polymeric network created on top of surface and around the target template, Carnitine (CRT), a potential biomarker of ovary cancer. The polymeric structure was obtained after radical polyme...

  5. Determination of phylogenetic position of Pipizini (Diptera: Syrphidae): based on molecular biological and morphological data

    Institute of Scientific and Technical Information of China (English)

    2000-01-01

    Based on the sequence analysis of 5.8S subunit and internal transcribed spacers (ITS ) of ribosomal RNA gene (rDNA), the molecular phylogenetic tree of representative species of Pipizini and three groups of Syrphidae with different feeding habits (seven species belong to six genera) was constructed. Meanwhile, the phylogenetic tree of tribes (including Pipizini and other 17 tribes of Syrphidae) was constructed using morphological characteristics of adults and larvae and the number of chromosomes. Both the results show that the relationship between Pipizini and predatory groups is closer than that between Pipizini and saprophagous groups. So it is suggested that Pipizini be transferred from Milesiinae to Syrphinae.

  6. Molecular Solid EOS based on Quasi-Harmonic Oscillator approximation for phonons

    Energy Technology Data Exchange (ETDEWEB)

    Menikoff, Ralph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2014-09-02

    A complete equation of state (EOS) for a molecular solid is derived utilizing a Helmholtz free energy. Assuming that the solid is nonconducting, phonon excitations dominate the specific heat. Phonons are approximated as independent quasi-harmonic oscillators with vibrational frequencies depending on the specific volume. The model is suitable for calibrating an EOS based on isothermal compression data and infrared/Raman spectroscopy data from high pressure measurements utilizing a diamond anvil cell. In contrast to a Mie-Gruneisen EOS developed for an atomic solid, the specific heat and Gruneisen coefficient depend on both density and temperature.

  7. Base metal-catalyzed benzylic oxidation of (aryl)(heteroaryl)methanes with molecular oxygen

    Science.gov (United States)

    Sterckx, Hans; De Houwer, Johan; Mensch, Carl; Herrebout, Wouter; Tehrani, Kourosch Abbaspour

    2016-01-01

    Summary The methylene group of various substituted 2- and 4-benzylpyridines, benzyldiazines and benzyl(iso)quinolines was successfully oxidized to the corresponding benzylic ketones using a copper or iron catalyst and molecular oxygen as the stoichiometric oxidant. Application of the protocol in API synthesis is exemplified by the alternative synthesis of a precursor to the antimalarial drug Mefloquine. The oxidation method can also be used to prepare metabolites of APIs which is illustrated for the natural product papaverine. ICP–MS analysis of the purified reaction products revealed that the base metal impurity was well below the regulatory limit. PMID:26877817

  8. Nanoscale switch based on interacting molecular dipoles: Cooperativity can improve the device characteristics

    Science.gov (United States)

    Mafé, , Salvador; Manzanares, , José A.; Reiss, Howard

    2011-02-01

    We propose a nanoscale switch, giving a nonlinear function with two conductive states separated by a sharp transition region, on the basis of an array of molecular dipoles. We show theoretically that the local interactions between dipoles result in cooperative phenomena that can significantly improve the switching characteristics. We demonstrate the general validity of the concept in the cases of (i) an electrical switch robust to the finite size and variability effects inherent to the nanoscale and (ii) a sensing layer based on the voltage and ligand concentration dependence of the dipole array conductance.

  9. Monitoring molecular orientational order in NLO push-pull based polymeric films via photoacoustic measurements

    Science.gov (United States)

    Torres-Zúñiga, V.; Castañeda-Guzmán, R.; Morales-Saavedra, O. G.; Pérez-Martínez, A. L.; Ogawa, T.

    2011-12-01

    The pulsed-laser photoacoustic-technique (PLPA) was implemented to characterize molecular orientational order and anisotropy in push-pull poled polymeric films as function of temperature and laser polarization. Traditionally, photoacoustic signals are considered to be directly proportional to the linear optical absorption in amorphous media. In this work, however, it is shown that photoacoustic signals can also be highly sensitive to the material anisotropy when convenient polarization dependent photoacoustic analyses are performed. Thus, variation of the molecular orientation in organic films, comprising rod-like polar chromophores, can be unambiguously monitored via rms-analyses performed on the amplitude of the generated opto-acoustical PLPA-signals as function of the incident laser polarization. This result can be useful for the characterization of organic-based nonlinear optical (NLO) poled films and, in general, in studies of anisotropic materials. In fact, in this work we were able to accurately determine the molecular order parameter ( ϕ) of a NLO-active spin-coated polymeric film containing optically active push-pull chromophores. These molecules, previously oriented via an electrical-poling procedure, are capable to exhibit strong second harmonic generation (SHG) effects. The PLPA-measurements were systematically compared to the linear UV-vis optical absorbance spectra while heating the poled film sample in order to monitor the thermally induced molecular disorder, so that the order parameter may be photo-acoustically evaluated via the PLPA-signals generated from the poled to the unpoled film phase. These PLPA-experiments were performed taking into account the UV-vis reference spectra for calibration and comparison purposes in the evaluation of the order parameter. A significant advantage of the PLPA-technique over commonly used optical spectral methodologies is its convenient applicability in samples exhibiting poor or null optical transmission.

  10. NACE: A web-based tool for prediction of intercompartmental efficiency of human molecular genetic networks.

    Science.gov (United States)

    Popik, Olga V; Ivanisenko, Timofey V; Saik, Olga V; Petrovskiy, Evgeny D; Lavrik, Inna N; Ivanisenko, Vladimir A

    2016-06-15

    Molecular genetic processes generally involve proteins from distinct intracellular localisations. Reactions that follow the same process are distributed among various compartments within the cell. In this regard, the reaction rate and the efficiency of biological processes can depend on the subcellular localisation of proteins. Previously, the authors proposed a method of evaluating the efficiency of biological processes based on the analysis of the distribution of protein subcellular localisation (Popik et al., 2014). Here, NACE is presented, which is an open access web-oriented program that implements this method and allows the user to evaluate the intercompartmental efficiency of human molecular genetic networks. The method has been extended by a new feature that provides the evaluation of the tissue-specific efficiency of networks for more than 2800 anatomical structures. Such assessments are important in cases when molecular genetic pathways in different tissues proceed with the participation of various proteins with a number of intracellular localisations. For example, an analysis of KEGG pathways, conducted using the developed program, showed that the efficiencies of many KEGG pathways are tissue-specific. Analysis of efficiencies of regulatory pathways in the liver, linking proteins of the hepatitis C virus with human proteins involved in the KEGG apoptosis pathway, showed that intercompartmental efficiency might play an important role in host-pathogen interactions. Thus, the developed tool can be useful in the study of the effectiveness of functioning of various molecular genetic networks, including metabolic, regulatory, host-pathogen interactions and others taking into account tissue-specific gene expression. The tool is available via the following link: http://www-bionet.sscc.ru/nace/. PMID:27109913

  11. Molecular phylogeny of Edraianthus (Grassy Bells; Campanulaceae) based on non-coding plastid DNA sequences

    DEFF Research Database (Denmark)

    Stefanovic, Sasa; Lakusic, Dmitar; Kuzmina, Maria; Mededovic, Safer; Tan, Kit; Stevanovic, Vladimir

    2008-01-01

    taxonomical standings are reevaluated based on molecular evidence. Our study identified several distinct monophyletic groups within Edraianthus, some of which correspond closely to previously established taxonomic treatments and some of which are first identified here. Morphologic, taxonomic, and...

  12. La metáfora visual corporeizada: bases cognitivas del discurso audiovisual

    OpenAIRE

    Ortiz Díaz-Guerra, María Jesús

    2011-01-01

    Las teorías cognitivas han demostrado que el pensamiento humano se encuentra corporeizado; es decir, que accedemos a la realidad mediante nuestros sentidos y no podemos huir de ellos. Para entender y manejar conceptos abstractos utilizamos proyecciones metafóricas basadas en sensaciones corporales. De ahí la ubicuidad de la metáfora en el lenguaje cotidiano. Aunque esta afirmación ha sido ampliamente probada con el análisis del corpus verbal en distintas lenguas, apenas existen investigacione...

  13. EL CONFLICTO ENTRE LAS BASES FILOSOFICAS DEL DERECHO MODERNO Y POSMODERNO

    OpenAIRE

    Guadrrama Gonzalez, Pablo

    2014-01-01

    Los regímenes políticos y jurídicos y hasta las normas éticas imperantes en las formaciones económico sociales precapitalistas, no permitían un amplio despliegue de libertades individuales que la ideología burguesa se encargarían después de enaltecer, con el objetivo de fundamentar la supuesta eternidad de una sociedad supuestamente perfecta y justificada por la razón, -entiéndase la presunta racionalidad del mercado- que constantemente pone de manifiesto la irracionalidad de su comportamien...

  14. A fast-moving copper-based molecular shuttle: synthesis and dynamic properties.

    Science.gov (United States)

    Durola, Fabien; Lux, Jacques; Sauvage, Jean-Pierre

    2009-01-01

    Fast-track changes: The synthesis of a new copper-based molecular shuttle is described, with a coordinating macrocycle based on a nonhindering but endocyclic ligand (see scheme), which makes the ligand exchange easier, and thus the motions of the ring along the thread faster.The present report deals with the synthesis of a two-station [2]rotaxane consisting of a dpbiiq-incorporating macrocycle (dpbiiq: 8,8'-diphenyl-3,3'-biisoquinoline) threaded by a coordinating fragment whose complexing units are a dpp and a terpy ligand (dpp: 2,9-diphenyl-1,10-phenanthroline; terpy: 2,2',6',2"-terpyridine). The [2]rotaxane was prepared in 11 steps from commercially available or easy-to-make molecules, without taking into account the preparation of the dpbiiq-containing 39-membered ring, which was available in our group. The ring-incorporated bidentate chelate is at the same time endocyclic and sterically nonhindering, which is a specific property of the dpbiiq-coordinating unit. This unique feature has a profound influence on the rate of the ring-and-copper translation motion between the two stations of the axle. Based on an analogous multistep strategy, a related molecular shuttle has also been prepared that contains exactly the same axle and stoppers as the first compound but whose threaded ring incorporates the sterically hindering dpp chelate. The translation motions of this other system are several orders of magnitude slower than the corresponding movements of the dpbiiq-based compound. The motion corresponding to the rearrangement of the unstable five-coordinate copper(I) form of the compounds is relatively fast for both shuttles; the half lifetime of the five-coordinate Cu(I) species being below 20 ms for the dpbiiq-containing system and below 1 s for the dpp-based molecule. The reverse motion corresponding to the rearrangement of the four-coordinate copper(II) complexes is much slower, especially for the dpp-based system. It is of the order of several hours for the dpp-based

  15. Iron-sulfur-based single molecular wires for enhancing charge transport in enzyme-based bioelectronic systems.

    Science.gov (United States)

    Mahadevan, Aishwarya; Fernando, Teshan; Fernando, Sandun

    2016-04-15

    When redox enzymes are wired to electrodes outside a living cell (ex vivo), their ability to produce a sufficiently powerful electrical current diminishes significantly due to the thermodynamic and kinetic limitations associated with the wiring systems. Therefore, we are yet to harness the full potential of redox enzymes for the development of self-powering bioelectronics devices (such as sensors and fuel cells). Interestingly, nature uses iron-sulfur complexes ([Fe-S]), to circumvent these issues in vivo. Yet, we have not been able to utilize [Fe-S]-based chains ex vivo, primarily due to their instability in aqueous media. Here, a simple technique to attach iron (II) sulfide (FeS) to a gold surface in ethanol media and then complete the attachment of the enzyme in aqueous media is reported. Cyclic voltammetry and spectroscopy techniques confirmed the concatenation of FeS and glycerol-dehydrogenase/nicotinamide-adenine-dinucleotide (GlDH-NAD(+)) apoenzyme-coenzyme molecular wiring system on the base gold electrode. The resultant FeS-based enzyme electrode reached an open circuit voltage closer to its standard potential under a wide range of glycerol concentrations (0.001-1M). When probed under constant potential conditions, the FeS-based electrode was able to amplify current by over 10 fold as compared to electrodes fabricated with the conventional pyrroloquinoline quinone-based composite molecular wiring system. These improvements in current/voltage responses open up a wide range of possibilities for fabricating self-powering, bio-electronic devices. PMID:26657591

  16. Valoración diagnóstica de técnicas moleculares para detección de infección bucal por virus del papiloma humano

    OpenAIRE

    Myriam Lucrecia Medina; Marcelo Gabriel Medina; Luis Antonio Merino

    2012-01-01

    La infección por Virus del Papiloma Humano está considerada actualmente como la infección de transmisión sexual más frecuente en el mundo. Muchas veces, estas infecciones son asintomáticas, pasando desapercibidas a no ser que se empleen métodos moleculares. Otras infecciones se vuelven crónicas, siendo las que tienen mayor potencial oncogénico. Desarrollo: El virus se detectó en carcinoma bucal de células escamosas, así como en lesiones benignas de mucosa bucal, donde se encontró HPV de bajo ...

  17. Detección Serológica y Molecular del Virus PVYN y su variante PVYNTN en Papa (Solanum tuberosum L.) y Hospedantes Alternos en Tapalpa, México

    OpenAIRE

    Miguel Hernández-de la Cruz; Juan Florencio Gómez-Leyva; Irma Guadalupe López-Muraira; María Susana Dimas-Estrada; Isaac Andrade-González; Javier Ireta-Moreno

    2007-01-01

    Se realizó un muestreo en cultivos de papa (Solanum tuberosum) para semilla en la zona productora de Tapalpa, Jalisco, México, así como de maleza e insectos asociados al cultivo con el objetivo de determinar la presencia del virus PVYN y su variante PVYNTN. Mediante técnicas serológicas y moleculares se analizaron 41 variedades de papa, 19 de Tapalpa, y 22 provenientes de Toluca, Estado de México. Con la técnica de DAS-ELISA, la variedad Malinche de Tapalpa fue positiva a PVYN, mientras que M...

  18. Determinación de variantes del virus del amarillamiento de las nervaduras de la hoja de papa (pyvv) por análisis molecular de tres genes en aislados colombianos de solanum spp.

    OpenAIRE

    CUBILLOS ABELLO, Karen Andrea

    2011-01-01

    Potato yellow vein virus (PYVV) es un virus cuarentenario de países andinos como Colombia, Venezuela Perú y Ecuador, que puede llegar a ocasionar perdidas del 25% al 50% de la producción de plantas de papa. PYVV es un virus RNA de cadena sencilla, sentido positivo, genoma tripartita que pertenece a la familia Closteroviridae y género Crinivirus. Existe información acerca de la variabilidad viral de esta familia, sin embargo, poco se conoce acerca de la variabilidad del PYVV. Con el o...

  19. Bases biológicas del procesamiento numérico:evidencias neuropsicológicas y anatómicas desde la discalculia del desarrollo

    OpenAIRE

    Estévez Pérez, Nancy

    2015-01-01

    Los modelos actuales postulan que el procesamiento numérico depende de un circuito formado por regiones cerebrales y sus conexiones;especializadas en la representación mental de las propiedades numéricas de los estímulos y su manipulación.Este circuito neurocognitivo tiene una arquitectura modular.Se postula que el daño de regiones específicas y/o sus conexiones,puede originar Discalculia del Desarrollo (DD);trastorno persistente del neurodesarrollo que interfiere significativamente con el re...

  20. Claves del empleo juvenil en su dimensión societario-económica. La empresa base del desarrollo de la persona en la sociedad

    OpenAIRE

    García Echevarría, Santiago

    2016-01-01

    La grave situación que se plantea en diversos Países Europeos de una muy elevada tasa de desempleo juvenil contrasta de forma evidente con la excelente evolución del empleo juvenil en otros países europeos, ambos grupos dentro de la misma Unión Europea. La pregunta que actualmente se plantea es sobre las causas que inciden en estas grandes diferencias en torno a la integración del joven en el “trabajo” y, consiguientemente en su propio desarrollo y en el de la Sociedad. El empleo juvenil e...

  1. Postura del personal civil de la Base Naval Mar del Plata en el año 2011 ante el futuro cambio de normativa vigente

    OpenAIRE

    Suárez, Stella Maris

    2013-01-01

    En el marco de la Reforma del Estado Argentino planteado en la década del '90, al margen de las continuas modificaciones en la legislación laboral, el rol de las Fuerzas Armadas y su personal en cuanto a la Defensa Nacional no estuvieron al margen de dicha reforma. Con respecto a la Defensa Nacional se adoptó un rol puramente defensivo eliminando las hipótesis de conflicto como tales. Se prioriza el empleo de las Fuerzas Armadas en misiones de la O. N. U. como tropas de mantenimiento de la pa...

  2. Phylogeny of genera Laminaria and Saccharina (Laminariales, Phaeophyceae) based on three molecular markers

    Institute of Scientific and Technical Information of China (English)

    CHI Shan; QIAN Hao; LI Tianyong; WANG Xumin; LIU Cui; REN Lei; TANG Xuexi; LIU Tao

    2014-01-01

    In the past two decades, many studies have focused on the classification within genus Laminaria, ultimately trying to divide it into two subgroups or genera:Laminaria and Saccharina. A significant debate still sur-rounds the question of its division, as the conflicting phylogenetic hypotheses that have resulted from the classification studies are based on different taxon sampling, molecular markers, or analysis methods. It is aimed at elucidate the molecular phylogeny within Laminaria and Saccharina. The nine species of Lami-nariales are sampled from northern Asia and Europe, and 23 new sequences in the nuclear, plastid, and mitochondrial genomes are determined to identify their taxonomic status. The phylogenetic analyses of 71 species are performed, including representatives from six of the seven families of the order Laminariales, based on three separate data sets. An evidence is provided to strongly support a clear split that maintains the two recognized genera, Laminaria and Saccharina, with Laminaria appearing to be the ancestor group. Further, analyses indicate that all taxa in Saccharina and Laminaria did not form a monophyletic lineage, instead Laminariaceae and Lessoniaceae grouped together interlacedly, and Costariaceae appeared as the sister taxon of the Lessoniaceae-Laminariaceae clade. In the phylogenetic analysis, mitochondrial c oxi-dase I (COI) sequences appeared to be the most credible molecular marker which was more befitting than nuclear encoded internal transcribed spacer (ITS) and plastid encoded rbcL for establishment of Laminari-ales systematics. It is the most comprehensive phylogeny of the order Laminariales, and contributes to an enhanced understanding and estimation of the phylogenetic relationships for the economically important seaweeds, Laminaria and Saccharina.

  3. Reseña del libro: A. Domingo y V.Gómez (2014. La Práctica Reflexiva. Bases, modelos e instrumentos. Madrid: Narcea Ed.

    Directory of Open Access Journals (Sweden)

    Mauricio Pérez-Abril

    2014-06-01

    Full Text Available Reseña del libro La práctica reflexiva. Bases,modelos e instrumentos, de Àngels Domingo y M. Victoria Gómez. Domingo, À., & Gómez, V. (2014. La práctica reflexiva. Bases, modelos e instrumentos. Madrid: Narcea. 152 pp. ISBN: 978-84-277-1999-6.

  4. Tipificación molecular del virus dengue 3 durante el brote epidémico de dengue clásico en Lima, Perú, 2005

    Directory of Open Access Journals (Sweden)

    Enrique Mamani Z

    2005-07-01

    Full Text Available Objetivos: Identificar mediante trascripción reversa-reacción en cadena de la polimerasa (RT-PCR y sitios específicos de restricción - reacción en cadena de la polimerasa (RSS-PCR al agente causal del brote epidémico presentado en el distrito de Comas, Lima en abril del año 2005. Materiales y métodos: veinte muestras de suero colectadas durante el brote de dengue fueron procesados por RT-PCR para determinar el serotipo, esta técnica se realizó en un solo paso. Luego se aplicó la técnica RSS-PCR para la identificación del genotipo circulante y se corroboraron los resultados posteriormente con aislamiento viral y secuenciamiento. Resultados: El análisis del RTPCR del ARN extraído de las muestras presentó un producto amplificado de 290pb que corresponden al dengue serotipo 3 (DEN 3. El análisis de los productos de RSS-PCR del ARN extraído a partir de aislamientos de DEN 3 correspondió al patrón C, incluido en el genotipo III. Los aislamientos de los virus dengue 3 en líneas celulares C6/36, tipificadas por IFI y el secuenciamiento genético confirmaron los resultados obtenidos por las pruebas previamente descritas. Conclusión: Durante el brote epidémico de dengue clásico en Lima, circuló el genotipo III del virus DEN 3.

  5. A clinical-molecular update on azanucleoside-based therapy for the treatment of hematologic cancers.

    Science.gov (United States)

    Diesch, Jeannine; Zwick, Anabel; Garz, Anne-Kathrin; Palau, Anna; Buschbeck, Marcus; Götze, Katharina S

    2016-01-01

    The azanucleosides azacitidine and decitabine are currently used for the treatment of acute myeloid leukemia (AML) and myelodysplastic syndromes (MDS) in patients not only eligible for intensive chemotherapy but are also being explored in other hematologic and solid cancers. Based on their capacity to interfere with the DNA methylation machinery, these drugs are also referred to as hypomethylating agents (HMAs). As DNA methylation contributes to epigenetic regulation, azanucleosides are further considered to be among the first true "epigenetic drugs" that have reached clinical application. However, intriguing new evidence suggests that DNA hypomethylation is not the only mechanism of action for these drugs. This review summarizes the experience from more than 10 years of clinical practice with azanucleosides and discusses their molecular actions, including several not related to DNA methylation. A particular focus is placed on possible causes of primary and acquired resistances to azanucleoside treatment. We highlight current limitations for the success and durability of azanucleoside-based therapy and illustrate that a better understanding of the molecular determinants of drug response holds great potential to overcome resistance. PMID:27330573

  6. On the optimal design of molecular sensing interfaces with lipid bilayer assemblies - A knowledge based approach

    Science.gov (United States)

    Siontorou, Christina G.

    2012-12-01

    Biosensors are analytic devices that incorporate a biochemical recognition system (biological, biologicalderived or biomimic: enzyme, antibody, DNA, receptor, etc.) in close contact with a physicochemical transducer (electrochemical, optical, piezoelectric, conductimetric, etc.) that converts the biochemical information, produced by the specific biological recognition reaction (analyte-biomolecule binding), into a chemical or physical output signal, related to the concentration of the analyte in the measuring sample. The biosensing concept is based on natural chemoreception mechanisms, which are feasible over/within/by means of a biological membrane, i.e., a structured lipid bilayer, incorporating or attached to proteinaceous moieties that regulate molecular recognition events which trigger ion flux changes (facilitated or passive) through the bilayer. The creation of functional structures that are similar to natural signal transduction systems, correlating and interrelating compatibly and successfully the physicochemical transducer with the lipid film that is self-assembled on its surface while embedding the reconstituted biological recognition system, and at the same time manage to satisfy the basic conditions for measuring device development (simplicity, easy handling, ease of fabrication) is far from trivial. The aim of the present work is to present a methodological framework for designing such molecular sensing interfaces, functioning within a knowledge-based system built on an ontological platform for supplying sub-systems options, compatibilities, and optimization parameters.

  7. Hydrazone based molecular glasses for solid-state dye-sensitized solar cells

    International Nuclear Information System (INIS)

    Biscarbazole and terthiophene based molecular glasses with hydrazone functional goups (named respectively 2CzMPH and 3TDPH) have been synthesized and the thermal, optical and electrochemical properties have been studied. Differential scanning calorimetry characterizations confirm the metastable amorphous properties of these molecules with glass transition temperatures at 80 deg. C for the 3TDPH and 93 deg. C for the 2CzMPH. Their electrochemical properties have been studied and showed the effect of the conjugated hydrazone groups on the electronic delocalization of the structures. The concept of solid state dye-sensitized solar cells using hydrazone based molecular glasses has been verified with the elaboration of a SnO2: F/nc-TiO2/Ru-dye/2CzMPH /Au devices. Under full sunlight (98 mW/cm2, air mass 1.5) the I-V characterization of the device give a short circuit photocurrents Isc = 0.42 mA/cm2, open circuit voltage Voc = 500 mV with a fill factor of 0.35

  8. Lipid-based nanocarrier for quercetin delivery: system characterization and molecular interactions studies.

    Science.gov (United States)

    Hädrich, Gabriela; Monteiro, Samantha Oliveira; Rodrigues, Marisa Raquel; de Lima, Vânia Rodrigues; Putaux, Jean-Luc; Bidone, Juliana; Teixeira, Helder Ferreira; Muccillo-Baisch, Ana Luiza; Dora, Cristiana Lima

    2016-07-01

    The flavonoid quercetin (QU) is a naturally occurring compound with several biological activities. However, the oral bioavailability of this compound is very low due to the high pre-systemic metabolism in the colon and liver and its low water solubility. In this context, the development of QU-loaded nanocarriers (NEs) is a promising approach to improve the drug oral bioavailability. This study investigates the variation of the concentration of 12-hydroxystearic acid-polyethylene glycol copolymer, lecithin and castor oil (CO) as to increase the amount of QU encapsulated while maintaining physicochemical characteristics described in previous studies. To better understand the ability to load and release the drug, we investigated the molecular interactions between QU and NE. Lipid-based NEs were prepared using CO as oily phase and PEG 660-stearate and lecithin as surfactants. Hot solvent diffusion and phase inversion temperature were methods employed to produce NEs. The QU-NEs were investigated for physicochemical characteristics and in vitro drug release. Molecular interactions between QU and the NEs were monitored through the complementary infrared (Fourier transform infrared) and NMR. The results revealed that it was possible to incorporate higher amounts of QU in a lipid-based NE with a reduced size (20 nm). The system developed allow a sustained release of QU probably due to the shell formed by the surfactants around the NE and the flavonoid ordering effect in the emulsion hydrophobic regions, which may reduce the system permeability. PMID:26571009

  9. Identificación de genes que regulan el desarrollo del ovario y el cuajado del fruto de tomate (Solanum lycopersicum L.)

    OpenAIRE

    ROJAS GRACIA, PILAR

    2014-01-01

    El tomate es uno de los cultivos más populares y con un consumo más extendido en todo el mundo. Durante los últimos años se ha convertido en un sistema modelo para los estudios de cuajado y desarrollo del fruto el cual es un proceso clave en el ciclo de vida de las plantas. Actualmente se han producido numerosos avances en el conocimiento de las bases moleculares del proceso de maduración del fruto de tomate (revisado en Seymour y col. 2013). Sin embargo, es poco lo que se sabe de los pr...

  10. Molecular beacon-based enzyme-free strategy for amplified DNA detection.

    Science.gov (United States)

    Huang, Jiahao; Wu, Jueqi; Li, Zhigang

    2016-05-15

    We report an enzyme-free, sensitive strategy for DNA detections through fluorescence amplification. The sensing method employs molecular beacons (MBs) and two single-stranded helper DNA probes. In the presence of a DNA target, it binds and opens an MB. This triggers the hybridizations between the MB and helper probes, and consequently releases the DNA target, which becomes available to react with another MB and enhances the fluorescence emission of the MBs. The detection limit of the proposed strategy is 0.58 pM, which is about 3 orders of magnitude better than the conventional MB-based method. This method is also fast and exhibits good selectivity. It is superior to previous MB-based amplification approaches employing enzymes or nanomaterials. PMID:26774091

  11. Syntheses of Ferrocenyl Schiff Bases Using Molecular Sieves and AlCl3 as Catalysts

    Institute of Scientific and Technical Information of China (English)

    2005-01-01

    In order to study the donor ability of ferrocenylimines as directing ortho metalation group(DMG) to lithium alkylide to prepare planar chiral ferrocene, a series of ferrocenyl schiff bases were synthesized by new methods using molecular sieves(0.4nm) and AlCl3 as catalysts. The reaction periods were reduced using these two catalysts in contrast with Al2O3, which was a traditional method used in the literature. In addition, as an important feature of these schiff bases, we found that they were unstable as oils in air or when filtrated through silica gel, but were stable as solids. The structures of the new compounds were confirmed by IR, 1H NMR and HRMS.

  12. The importance of the rotor in hydrazone-based molecular switches

    Directory of Open Access Journals (Sweden)

    Xin Su

    2012-06-01

    Full Text Available The pH-activated E/Z isomerization of a series of hydrazone-based systems having different functional groups as part of the rotor (R = COMe, CN, Me, H, was studied. The switching efficiency of these systems was compared to that of a hydrazone-based molecular switch (R = COOEt whose E/Z isomerization is fully reversible. It was found that the nature of the R group is critical for efficient switching to occur; the R group should be a moderate H-bond acceptor in order to (i provide enough driving force for the rotor to move upon protonation, and (ii stabilize the obtained Z configuration, to achieve full conversion.

  13. Functionality in Electrospun Nanofibrous Membranes Based on Fiber’s Size, Surface Area, and Molecular Orientation

    Directory of Open Access Journals (Sweden)

    Akihiko Tanioka

    2011-08-01

    Full Text Available Electrospinning is a versatile method for forming continuous thin fibers based on an electrohydrodynamic process. This method has the following advantages: (i the ability to produce thin fibers with diameters in the micrometer and nanometer ranges; (ii one-step forming of the two- or three-dimensional nanofiber network assemblies (nanofibrous membranes; and (iii applicability for a broad spectrum of molecules, such as synthetic and biological polymers and polymerless sol-gel systems. Electrospun nanofibrous membranes have received significant attention in terms of their practical applications. The major advantages of nanofibers or nanofibrous membranes are the functionalities based on their nanoscaled-size, highly specific surface area, and highly molecular orientation. These functionalities of the nanofibrous membranes can be controlled by their fiber diameter, surface chemistry and topology, and internal structure of the nanofibers. This report focuses on our studies and describes fundamental aspects and applications of electrospun nanofibrous membranes.

  14. Exploring Programmable Self-Assembly in Non-DNA based Molecular Computing

    CERN Document Server

    Terrazas, German; Krasnogor, Natalio

    2013-01-01

    Self-assembly is a phenomenon observed in nature at all scales where autonomous entities build complex structures, without external influences nor centralised master plan. Modelling such entities and programming correct interactions among them is crucial for controlling the manufacture of desired complex structures at the molecular and supramolecular scale. This work focuses on a programmability model for non DNA-based molecules and complex behaviour analysis of their self-assembled conformations. In particular, we look into modelling, programming and simulation of porphyrin molecules self-assembly and apply Kolgomorov complexity-based techniques to classify and assess simulation results in terms of information content. The analysis focuses on phase transition, clustering, variability and parameter discovery which as a whole pave the way to the notion of complex systems programmability.

  15. Kazusa Marker DataBase: a database for genomics, genetics, and molecular breeding in plants.

    Science.gov (United States)

    Shirasawa, Kenta; Isobe, Sachiko; Tabata, Satoshi; Hirakawa, Hideki

    2014-09-01

    In order to provide useful genomic information for agronomical plants, we have established a database, the Kazusa Marker DataBase (http://marker.kazusa.or.jp). This database includes information on DNA markers, e.g., SSR and SNP markers, genetic linkage maps, and physical maps, that were developed at the Kazusa DNA Research Institute. Keyword searches for the markers, sequence data used for marker development, and experimental conditions are also available through this database. Currently, 10 plant species have been targeted: tomato (Solanum lycopersicum), pepper (Capsicum annuum), strawberry (Fragaria × ananassa), radish (Raphanus sativus), Lotus japonicus, soybean (Glycine max), peanut (Arachis hypogaea), red clover (Trifolium pratense), white clover (Trifolium repens), and eucalyptus (Eucalyptus camaldulensis). In addition, the number of plant species registered in this database will be increased as our research progresses. The Kazusa Marker DataBase will be a useful tool for both basic and applied sciences, such as genomics, genetics, and molecular breeding in crops. PMID:25320561

  16. Remote stabilization of copper paddlewheel based molecular building blocks in metal-organic frameworks

    KAUST Repository

    Gao, Wenyang

    2015-03-24

    Copper paddlewheel based molecular building blocks (MBBs) are ubiquitous and have been widely employed for the construction of highly porous metal-organic frameworks (MOFs). However, most copper paddlewheel based MOFs fail to retain their structural integrity in the presence of water. This instability is directly correlated to the plausible displacement of coordinating carboxylates in the copper paddlewheel MBB, [Cu2(O2C-)4], by the strongly coordinating water molecules. In this comprehensive study, we illustrate the chemical stability control in the rht-MOF platform via strengthening the coordinating bonds within the triangular inorganic MBB, [Cu3O(N4-x(CH)xC-)3] (x = 0, 1, or 2). Remotely, the chemical stabilization propagated into the paddlewheel MBB to afford isoreticular rht-MOFs with remarkably enhanced water/chemical stabilities compared to the prototypal rht-MOF-1. © 2015 American Chemical Society.

  17. Labyrinthine water flow across multilayer graphene-based membranes: molecular dynamics versus continuum predictions

    CERN Document Server

    Yoshida, Hiroaki

    2016-01-01

    In this paper we investigate the hydrodynamic permeance of water through graphene-based membranes, inspired by recent experimental findings on graphene-oxide membranes. We consider the flow across multiple graphene layers having nanoslits in a staggered alignment, with an inter-layer distance ranging from sub- nanometer to a few nanometers. We compare results for the permeability obtained by means of molecular dynamics simulations to continuum predictions obtained by using the lattice Boltzmann calculations and hydrodynamic modelization. This highlights that, in spite of extreme confinement, the permeability across the graphene-based membrane is quantitatively predicted on the basis of a continuum expression, taking properly into account entrance and slippage effects of the confined water flow. Our predictions refute the breakdown of hydrodynamics at small scales in these membrane systems. They constitute a benchmark to which we compare published experimental data.

  18. Initiating Heavy-atom Based Phasing by Multi-Dimensional Molecular Replacement

    DEFF Research Database (Denmark)

    Pedersen, Bjørn Panyella; Gourdon, Pontus; Liu, Xiangyu;

    2014-01-01

    in the determination of a membrane protein structure, the CopA Cu+-ATPase, when other methods had failed to resolve the heavy atom substructure. MRPM is particularly suited for proteins undergoing large conformational changes where multiple search models should be generated, and it enables the identification of weak......To obtain an electron-density map from a macromolecular crystal the phase-problem needs to be solved, which often involves the use of heavy-atom derivative crystals and concomitantly the determination of the heavy atom substructure. This is customarily done by direct methods or Patterson......-based approaches, which however may fail when only poorly diffracting derivative crystals are available, as often the case for e.g. membrane proteins. Here we present an approach for heavy atom site identification based on a Molecular Replacement Parameter Matrix (MRPM) search. It involves an n-dimensional search...

  19. Remote Stabilization of Copper Paddlewheel Based Molecular Building Blocks in Metal-Organic Frameworks

    Energy Technology Data Exchange (ETDEWEB)

    Gao, Wen-Yang; Cai, Rong; Pham, Tony; Forrest, Katherine A.; Hogan, Adam; Nugent, Patrick; Williams, Kia; Wojtas, Lukasz; Luebke, Ryan; Weseli; #324; ski, Lukasz J.; Zaworotko, Michael J.; Space, Brian; Chen, Yu-Sheng; Eddaoudi, Mohamed; Shi, Xiaodong; Ma, Shengqian (KAUST); (UC); (USF); (WVU)

    2015-08-21

    Copper paddlewheel based molecular building blocks (MBBs) are ubiquitous and have been widely employed for the construction of highly porous metal–organic frameworks (MOFs). However, most copper paddlewheel based MOFs fail to retain their structural integrity in the presence of water. This instability is directly correlated to the plausible displacement of coordinating carboxylates in the copper paddlewheel MBB, [Cu₂(O₂C-)₄], by the strongly coordinating water molecules. In this comprehensive study, we illustrate the chemical stability control in the rht-MOF platform via strengthening the coordinating bonds within the triangular inorganic MBB, [Cu₃O(N4–x(CH)xC-)₃] (x = 0, 1, or 2). Remotely, the chemical stabilization propagated into the paddlewheel MBB to afford isoreticular rht-MOFs with remarkably enhanced water/chemical stabilities compared to the prototypal rht-MOF-1.

  20. Innovative molecular-based fluorescent nanoparticles for multicolor single particle tracking in cells

    Science.gov (United States)

    Daniel, Jonathan; Godin, Antoine G.; Palayret, Matthieu; Lounis, Brahim; Cognet, Laurent; Blanchard-Desce, Mireille

    2016-03-01

    Based on an original molecular-based design, we present bright and photostable fluorescent organic nanoparticles (FONs) showing excellent colloidal stability in various aqueous environments. Complementary near-infrared emitting and green emitting FONs were prepared using a simple, fast and robust protocol. Both types of FONs could be simultaneously imaged at the single-particle level in solution as well as in biological environments using a monochromatic excitation and a dual-color fluorescence microscope. No evidence of acute cytotoxicity was found upon incubation of live cells with mixed solutions of FONs, and both types of nanoparticles were found internalized in the cells where their motion could be simultaneously tracked at video-rate up to minutes. These fluorescent organic nanoparticles open a novel non-toxic alternative to existing nanoparticles for imaging biological structures, compatible with live-cell experiments and specially fitted for multicolor single particle tracking.

  1. Molecular thermodynamic modeling of ionic liquids using the perturbation-based linear Yukawa isotherm regularity.

    Science.gov (United States)

    Sohrabi Mahboub, Mahdi; Farrokhpour, Hossein

    2016-06-15

    In this paper, we present the results of an extensive study on a novel approach to the molecular modeling of pure ionic liquids (ILs) that incorporates the perturbed thermodynamic linear Yukawa isotherm regularity (LYIR), which is derived based on an effective nearest neighboring pair attractive interaction of the Yukawa potential. The LYIR was used to model the densities of ILs up to high pressures (35 MPa) and in the temperature range 293.15 to 393.15 K. To use the LYIR for ILs, a simple molecular model was proposed to describe their molecular structure, in which they were considered as a liquid consisting of the ion pairs moving together in the fluid, and each ion pair was assumed to be a one-center spherical united atom. The ILs under consideration contained one of the IL cations [C2mim](+), [C4mim](+), [C7mim](+), [C8mim](+), [C3mpy](+), [C3mpip](+), [C3mpyr](+) or [C4mpyr](+), and one of the IL anions [BF4](-), [C(CN)3](-), [CF3SO4](-) or [NTf2](-). The reliability and physical significance of the parameters as well as the proposed molecular model were tested by calculating the densities of pure imidazolium-, pyridinium-, piperidinium- and pyrrolidimium-based ILs. The results showed that the LYIR can be used to predict and reproduce the density of ILs in good agreement with the experimental data. In addition, the LYIR enabled us to determine the physical quantities, such as an effective Yukawa screening length, λ eff, the product of the effective energy well depth and the effective coordination number, (ε eff/k)z eff, the contribution of the non-reference thermal pressure and also the influence of the anionic and cationic structure on the λ eff parameter. The standard deviation of the IL densities predicted in this work is lower than those calculated by the one other important equation of state reported in the literature. PMID:27157142

  2. Molecular thermodynamic modeling of ionic liquids using the perturbation-based linear Yukawa isotherm regularity

    Science.gov (United States)

    Sohrabi Mahboub, Mahdi; Farrokhpour, Hossein

    2016-06-01

    In this paper, we present the results of an extensive study on a novel approach to the molecular modeling of pure ionic liquids (ILs) that incorporates the perturbed thermodynamic linear Yukawa isotherm regularity (LYIR), which is derived based on an effective nearest neighboring pair attractive interaction of the Yukawa potential. The LYIR was used to model the densities of ILs up to high pressures (35 MPa) and in the temperature range 293.15 to 393.15 K. To use the LYIR for ILs, a simple molecular model was proposed to describe their molecular structure, in which they were considered as a liquid consisting of the ion pairs moving together in the fluid, and each ion pair was assumed to be a one-center spherical united atom. The ILs under consideration contained one of the IL cations [C2mim]+, [C4mim]+, [C7mim]+, [C8mim]+, [C3mpy]+, [C3mpip]+, [C3mpyr]+ or [C4mpyr]+, and one of the IL anions [BF4]‑, [C(CN)3]‑, [CF3SO4]‑ or [NTf2]‑. The reliability and physical significance of the parameters as well as the proposed molecular model were tested by calculating the densities of pure imidazolium-, pyridinium-, piperidinium- and pyrrolidimium-based ILs. The results showed that the LYIR can be used to predict and reproduce the density of ILs in good agreement with the experimental data. In addition, the LYIR enabled us to determine the physical quantities, such as an effective Yukawa screening length, λ eff, the product of the effective energy well depth and the effective coordination number, (ε eff/k)z eff, the contribution of the non-reference thermal pressure and also the influence of the anionic and cationic structure on the λ eff parameter. The standard deviation of the IL densities predicted in this work is lower than those calculated by the one other important equation of state reported in the literature.

  3. Molecular similarity-based predictions of the Tox21 screening outcome

    Directory of Open Access Journals (Sweden)

    Malgorzata Natalia Drwal

    2015-07-01

    Full Text Available To assess the toxicity of new chemicals and drugs, regulatory agencies require in vivo testing for many toxic endpoints, resulting in millions of animal experiments conducted each year. However, following the Replace, Reduce, Refine (3R principle, the development and optimization of alternative methods, in particular in silico methods, has been put into focus in the recent years. It is generally acknowledged that the more complex a toxic endpoint, the more difficult it is to model. Therefore, computational toxicology is shifting from modelling general and complex endpoints to the investigation and modelling of pathways of toxicity and the underlying molecular effects.The U.S. Toxicology in the 21st Century (Tox21 initiative has screened a large library of compounds, including approximately 10K environmental chemicals and drugs, for different mechanisms responsible for eliciting toxic effects, and made the results publicly available. Through the Tox21 Data Challenge, the consortium has established a platform for computational toxicologists to develop and validate their predictive models.Here, we present a fast and successful method for the prediction of different outcomes of the nuclear receptor and stress response pathway screening from the Tox21 Data Challenge 2014. The method is based on the combination of molecular similarity calculations and a naïve Bayes machine learning algorithm and has been implemented as a KNIME pipeline. Molecules are represented as binary vectors consisting of a concatenation of common two-dimensional molecular fingerprint types with topological compound properties. The prediction method has been optimized individually for each modelled target and evaluated in a cross-validation as well as with the independent Tox21 validation set. Our results show that the method can achieve good prediction accuracies and rank among the top algorithms submitted to the prediction challenge, indicating its broad applicability in

  4. Cyndi: a multi-objective evolution algorithm based method for bioactive molecular conformational generation

    Directory of Open Access Journals (Sweden)

    Li Honglin

    2009-03-01

    Full Text Available Abstract Background Conformation generation is a ubiquitous problem in molecule modelling. Many applications require sampling the broad molecular conformational space or perceiving the bioactive conformers to ensure success. Numerous in silico methods have been proposed in an attempt to resolve the problem, ranging from deterministic to non-deterministic and systemic to stochastic ones. In this work, we described an efficient conformation sampling method named Cyndi, which is based on multi-objective evolution algorithm. Results The conformational perturbation is subjected to evolutionary operation on the genome encoded with dihedral torsions. Various objectives are designated to render the generated Pareto optimal conformers to be energy-favoured as well as evenly scattered across the conformational space. An optional objective concerning the degree of molecular extension is added to achieve geometrically extended or compact conformations which have been observed to impact the molecular bioactivity (J Comput -Aided Mol Des 2002, 16: 105–112. Testing the performance of Cyndi against a test set consisting of 329 small molecules reveals an average minimum RMSD of 0.864 Å to corresponding bioactive conformations, indicating Cyndi is highly competitive against other conformation generation methods. Meanwhile, the high-speed performance (0.49 ± 0.18 seconds per molecule renders Cyndi to be a practical toolkit for conformational database preparation and facilitates subsequent pharmacophore mapping or rigid docking. The copy of precompiled executable of Cyndi and the test set molecules in mol2 format are accessible in Additional file 1. Conclusion On the basis of MOEA algorithm, we present a new, highly efficient conformation generation method, Cyndi, and report the results of validation and performance studies comparing with other four methods. The results reveal that Cyndi is capable of generating geometrically diverse conformers and outperforms

  5. Potentiometric Sensors Based on Surface Molecular Imprinting: Detection of Cancer Biomarkers and Viruses

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Y.; Zhang, Z; Jain, V; Yi, J; Mueller, S; Sokolov, J; Liu, Z; Levon, K; Rigas, B; Rafailovich, M

    2010-01-01

    The continuing discovery of cancer biomarkers necessitates improved methods for their detection. Molecular imprinting using artificial materials provides an alternative to the detection of a wide range of substances. We applied surface molecular imprinting using self-assembled monolayers to design sensing elements for the detection of cancer biomarkers and other proteins. These elements consist of a gold-coated silicon chip onto which hydroxyl-terminated alkanethiol molecules and template biomolecule are co-adsorbed, where the thiol molecules are chemically bound to the metal substrate and self-assembled into highly ordered monolayers, the biomolecules can be removed, creating the foot-print cavities in the monolayer matrix for this kind of template molecules. Re-adsorption of the biomolecules to the sensing chip changes its potential, which can be measured potentiometrically. We applied this method to the detection of carcinoembryonic antigen (CEA) in both solutions of purified CEA and in the culture medium of a CEA-producing human colon cancer cell line. The CEA assay, validated also against a standard immunoassay, was both sensitive (detection range 2.5-250 ng/mL) and specific (no cross-reactivity with hemoglobin; no response by a non-imprinted sensor). Similar results were obtained for human amylase. In addition, we detected virions of poliovirus in a specific manner (no cross-reactivity to adenovirus, no response by a non-imprinted sensor). Our findings demonstrate the application of the principles of molecular imprinting to the development of a new method for the detection of protein cancer biomarkers and to protein-based macromolecular structures such as the capsid of a virion. This approach has the potential of generating a general assay methodology that could be highly sensitive, specific, simple and likely inexpensive.

  6. Molecular and cell-based therapies for muscle degenerations: a road under construction

    Directory of Open Access Journals (Sweden)

    Maurilio eSampaolesi

    2014-04-01

    Full Text Available There are no specific treatments for muscular degeneration caused by muscular dystrophies and for muscle wasting caused by cachexia or sarcopenia. Corticosteroid medications for dystrophic patients only helps to control inflammatory process and slightly delay the progression of the disease. Walkers and wheel chairs are the only options to maintain patients’ independence and walking capabilities until respiratory muscles become weak and mechanical ventilation is mandatory. On the other hand myostatin inhibition, melanocortin-4 receptor antagonists, β-blockers, IL-6 antagonism, and synthetic ghrelin are promising treatments for cachectic animal models. Although in both cases muscular degeneration is relevant the translational therapeutic attempts to find a possible cure are well defined. Molecular treatments are common options to explore beneficial treatments for cachexia, and gene/cell therapies are mostly employed to induce the phenotypic improvement of dystrophic muscles. This review deals with the use of molecular administrations and gene/stem cell therapy to treat muscular degenerations. It reviews previous trials using cell delivery protocols in mice and patients starting with the use of donor myoblasts, outlining the likely causes for their poor results and briefly focusing on satellite cell studies that raise new hope. Then it proceeds to describe recently identified stem/progenitor cells in relationship to their ability to home within a dystrophic muscle and to differentiate into skeletal muscle cells. Different known features of various stem cells are compared in this perspective, and the few available examples of their use in animal models of muscular degeneration are reported. This review also provides an outline of the role of microRNAs to control myogenic commitment. Finally, based on our current knowledge and the rapid advance in stem cell biology a prediction of clinical translation for cell therapy protocols combined with

  7. Aspectos fisiológicos y moleculares del transporte de cesio en las especies dulceacuícolas Chlamydomonas reinhardtii D. y Riccia fluitans L.

    OpenAIRE

    Linares Rueda, Adolfo

    2004-01-01

    En la presente tesis se ha abordado, por un lado, la caracterización de la incorporación y acumulación de Cs+ en C. reinhardtii (cepas silvestre y trk1) mediante técnicas radiométricas, atendiendo a la influencia del régimen de K+ y del pH sobre éstos procesos, así como sobre variables fisiológicas relacionadas, como el volumen celular; y por otro lado, la búsqueda de genes implicados en dicho transporte tanto en C. reinhardtii como en R. fluitans, y en particular de transportadores...

  8. Integrated biophysical studies implicate partial unfolding of NBD1 of CFTR in the molecular pathogenesis of F508del cystic fibrosis

    OpenAIRE

    Wang, Chi; Protasevich, Irina; Yang, Zhengrong; Seehausen, Derek; Skalak, Timothy; Zhao, Xun; Atwell, Shane; Spencer Emtage, J; Wetmore, Diana R.; Brouillette, Christie G; Hunt, John F.

    2010-01-01

    The lethal genetic disease cystic fibrosis is caused predominantly by in-frame deletion of phenylalanine 508 in the cystic fibrosis transmembrane conductance regulator (CFTR). F508 is located in the first nucleotide-binding domain (NBD1) of CFTR, which functions as an ATP-gated chloride channel on the cell surface. The F508del mutation blocks CFTR export to the surface due to aberrant retention in the endoplasmic reticulum. While it was assumed that F508del interferes with NBD1 folding, bioph...

  9. Análisis taxonómico y funcional del microbioma humano mediante aproximaciones clásicas, moleculares y metagenómicas

    OpenAIRE

    Cabrera Rubio, Raúl

    2014-01-01

    La presente tesis muestra distintas aproximaciones para el estudio del microbioma humano. Éstas han ido desde la secuenciación masiva de productos de PCR, la pirosecuenciación directa del ADN ambiental, la elaboración de librerías de fósmidos y por último el aislamiento de especies presentes en el microbioma mediante sembrado de la muestra. Todas estas técnicas tienen sus ventajas y desventajas, pero todas ellas son complementarias para el estudio de un determinado microbioma. Además la elabo...

  10. Photorefractive effect in triphenylamine-based monolithic molecular glasses with low Tg

    International Nuclear Information System (INIS)

    Research highlights: → A series of triphenylamine-based molecular glasses with low Tg and long-term stability were designed and prepared via simple reactions. → Single-component M1 exhibited the better PR performance with a gain coefficient of 52 cm-1 (0 V μm-1) and 165 cm-1 (40 V μm-1). Fast response time of 0.025-0.23 s were obtained at low electric field for these glasses. → The overall performances suggest that the present triphenylamine-based molecules are potentially good candidates for commercial application in organic photorefractive devices. - Abstract: A novel series of triphenylamine-based photorefractive molecules M1-M5 with the different push-pull structures were designed and prepared. These molecules can form stable glasses with low glass transition temperature and their optical absorptions as well as photoconductivities at 633 nm increase systematically with increasing acceptor strength and conjugation length. As an unambiguous evidence, the two-beam-coupling experiment was performed to prove the photorefractive effect in each compound with or without an additional sensitizer. Obvious two-beam-coupling effects were obtained for the molecules with good film-forming ability and long-term stability, and among them single-component M1 which has a highly asymmetric structure using both a nitrobenzene and a cyano group as the acceptor showed the best PR performance with a gain coefficient of 52 cm-1 at 0 V μm-1 and 165 cm-1 at 40 V μm-1. Fast response time of 0.025-0.23 s were also obtained at low electric field for these glasses. The correlation of the molecular structure with the PR property was discussed, and a possible explanation for the unique energy transfer observed in M1 and M2 under zero field was proposed.

  11. Ecotope-Based Entomological Surveillance and Molecular Xenomonitoring of Multidrug Resistant Malaria Parasites in Anopheles Vectors

    Directory of Open Access Journals (Sweden)

    Prapa Sorosjinda-Nunthawarasilp

    2014-01-01

    Full Text Available The emergence and spread of multidrug resistant (MDR malaria caused by Plasmodium falciparum or Plasmodium vivax have become increasingly important in the Greater Mekong Subregion (GMS. MDR malaria is the heritable and hypermutable property of human malarial parasite populations that can decrease in vitro and in vivo susceptibility to proven antimalarial drugs as they exhibit dose-dependent drug resistance and delayed parasite clearance time in treated patients. MDR malaria risk situations reflect consequences of the national policy and strategy as this influences the ongoing national-level or subnational-level implementation of malaria control strategies in endemic GMS countries. Based on our experience along with current literature review, the design of ecotope-based entomological surveillance (EES and molecular xenomonitoring of MDR falciparum and vivax malaria parasites in Anopheles vectors is proposed to monitor infection pockets in transmission control areas of forest and forest fringe-related malaria, so as to bridge malaria landscape ecology (ecotope and ecotone and epidemiology. Malaria ecotope and ecotone are confined to a malaria transmission area geographically associated with the infestation of Anopheles vectors and particular environments to which human activities are related. This enables the EES to encompass mosquito collection and identification, salivary gland DNA extraction, Plasmodium- and species-specific identification, molecular marker-based PCR detection methods for putative drug resistance genes, and data management. The EES establishes strong evidence of Anopheles vectors carrying MDR P. vivax in infection pockets epidemiologically linked with other data obtained during which a course of follow-up treatment of the notified P. vivax patients receiving the first-line treatment was conducted. For regional and global perspectives, the EES would augment the epidemiological surveillance and monitoring of MDR falciparum and

  12. Estudio de las Propiedades Anticorrosivas del Benzoato de Hierro (III en Pinturas Base Solvente Study of Anticorrosive Properties of the Iron (III Benzoate in Solvent Based Paints

    Directory of Open Access Journals (Sweden)

    Guillermo Blustein

    2006-01-01

    Full Text Available La acción inhibidora del benzoato de hierro en electrodos de acero SAE 1010 en contacto con una suspensión acuosa fue estudiada mediante ensayos electroquímicos. Paralelamente, la eficiencia anticorrosiva de este producto incorporado a cubiertas orgánicas base solvente fue evaluada mediante ensayos de envejecimiento acelerado (cámara de niebla salina y de humedad. La evolución del comportamiento protector de la cubierta aplicada sobre paneles de acero pintados e inmersos en una solución 0.5M de NaClO4 fue periódicamente monitoreada por espectroscopía de impedancia electroquímica. Los resultados obtenidos indican que las pinturas formuladas con benzoato férrico presentan una capacidad anticorrosiva comparable a las formuladas con fosfato de cinc.This study investigated the inhibitory action of iron benzoate on SAE 1010 steel electrodes in aqueous suspensions using electrochemical assays. The anticorrosive efficiency of this product added to organic solvent-based coatings was also evaluated by means of accelerated weathering tests (salt spray cabinet and humidity chamber. The evolution of the protective behavior of the coating applied on steel panels and immersed in 0.5M NaClO4 solution was periodically checked by electrochemical impedance spectroscopy. The results obtained showed that paints formulated with ferric benzoate provide anticorrosive protection similar to those formulated with zinc phosphate.

  13. Synchrotron-Based Microspectroscopic Analysis of Molecular and Biopolymer Structures Using Multivariate Techniques and Advanced Multi-Components Modeling

    International Nuclear Information System (INIS)

    More recently, advanced synchrotron radiation-based bioanalytical technique (SRFTIRM) has been applied as a novel non-invasive analysis tool to study molecular, functional group and biopolymer chemistry, nutrient make-up and structural conformation in biomaterials. This novel synchrotron technique, taking advantage of bright synchrotron light (which is million times brighter than sunlight), is capable of exploring the biomaterials at molecular and cellular levels. However, with the synchrotron RFTIRM technique, a large number of molecular spectral data are usually collected. The objective of this article was to illustrate how to use two multivariate statistical techniques: (1) agglomerative hierarchical cluster analysis (AHCA) and (2) principal component analysis (PCA) and two advanced multicomponent modeling methods: (1) Gaussian and (2) Lorentzian multi-component peak modeling for molecular spectrum analysis of bio-tissues. The studies indicated that the two multivariate analyses (AHCA, PCA) are able to create molecular spectral corrections by including not just one intensity or frequency point of a molecular spectrum, but by utilizing the entire spectral information. Gaussian and Lorentzian modeling techniques are able to quantify spectral omponent peaks of molecular structure, functional group and biopolymer. By application of these four statistical methods of the multivariate techniques and Gaussian and Lorentzian modeling, inherent molecular structures, functional group and biopolymer onformation between and among biological samples can be quantified, discriminated and classified with great efficiency.

  14. Anisotropy induced Kondo splitting in a mechanically stretched molecular junction: A first-principles based study

    International Nuclear Information System (INIS)

    The magnetic anisotropy and Kondo phenomena in a mechanically stretched magnetic molecular junction are investigated by combining the density functional theory (DFT) and hierarchical equations of motion (HEOM) approach. The system is comprised of a magnetic complex Co(tpy–SH)2 sandwiched between adjacent gold electrodes, which is mechanically stretched in experiments done by Parks et al. [Science 328, 1370 (2010)]. The electronic structure and mechanical property of the stretched system are investigated via the DFT calculations. The HEOM approach is then employed to characterize the Kondo resonance features, based on the Anderson impurity model parameterized from the DFT results. It is confirmed that the ground state prefers the S = 1 local spin state. The structural properties, the magnetic anisotropy, and corresponding Kondo peak splitting in the axial stretching process are systematically evaluated. The results reveal that the strong electron correlations and the local magnetic properties of the molecule magnet are very sensitive to structural distortion. This work demonstrates that the combined DFT+HEOM approach could be useful in understanding and designing mechanically controlled molecular junctions

  15. Molecular-Based Theory for Electron-Transfer Reorganization Energy in Solvent Mixtures.

    Science.gov (United States)

    Zhuang, Bilin; Wang, Zhen-Gang

    2016-07-01

    Using statistical-field techniques, we develop a molecular-based dipolar self-consistent-field theory (DSCFT) for charge solvation in liquid mixtures under equilibrium and nonequilibrium conditions, and apply it to compute the solvent reorganization energy of electron-transfer reactions. In addition to the nonequilibrium orientational polarization, the reorganization energy in liquid mixtures is also determined by the out-of-equilibrium solvent composition around the reacting species due to preferential solvation. Using molecular parameters that are readily available, the DSCFT naturally accounts for the dielectric saturation effect and the spatially varying solvent composition in the vicinity of the reacting species. We identify three general categories of binary solvent mixtures, classified by the relative optical and static dielectric permittivities of the solvent components. Each category of mixture is shown to produce a characteristic local solvent composition profile in the vicinity of the reacting species, which gives rise to the distinctive composition dependence of the reorganization energy that cannot be predicted using the dielectric permittivities of the homogeneous solvent mixtures. PMID:27187110

  16. Inquiry-Based Learning: Inflammation as a Model to Teach Molecular Techniques for Assessing Gene Expression

    Directory of Open Access Journals (Sweden)

    Kathryn E. Gunn

    2013-08-01

    Full Text Available This laboratory module simulates the process used by working scientists to ask and answer a question of biological interest. Instructors facilitate acquisition of knowledge using a comprehensive, inquiry-based approach in which students learn theory, hypothesis development, experimental design, and data interpretation and presentation. Using inflammation in macrophages as a model system, students perform a series of molecular biology techniques to address the biological question: “Does stimulus ‘X’ induce inflammation?” To ask this question, macrophage cells are treated with putative inflammatory mediators and then assayed for evidence of inflammatory response. Students become familiar with their assigned mediator and the relationship between their mediator and inflammation by conducting literature searches, then using this information to generate hypotheses which address the effect of their mediator on induction of inflammation. The cellular and molecular approaches used to test their hypotheses include transfection and luciferase reporter assay, immunoblot, fluorescence microscopy, enzyme-linked immunosorbent assay, and quantitative PCR. Quantitative and qualitative reasoning skills are developed through data analysis and demonstrated by successful completion of post-lab worksheets and the generation and oral presentation of a scientific poster. Learning objective assessment relies on four instruments: pre-lab quizzes, post-lab worksheets, poster presentation, and posttest. Within three cohorts (n = 85 more than 95% of our students successfully achieved the learning objectives.

  17. Prediction of transport properties of new functional lanthanum-strontium cuprates based materials: molecular dynamics calculations

    International Nuclear Information System (INIS)

    Molecular dynamics method is used for the properties prediction of new lanthanum-strontium cuprates La2-xSrxCuO4-δ based functional materials. The most interesting phases have been synthesized, and electrophysical and thermomechanical properties have been investigated for the verification of acquired calculated data. High values of oxygen diffusion constants is demonstrated to be occurred in solid solutions La2-xSrxCuO4-δ with fine degree of substitution Sr→La (to x=1). Values of lattice parameters, thermal expansion coefficients and oxygen diffusion constants are agree with experimental data. Observed anisotropy of anion transport for all studied compositions is responsible for peculiarities of crystal structure of complex oxides. Applied molecular dynamics method permits to reveal the contribution of separate kinds of oxygen ions (equatorial and apical) in ionic transport at microscopic level, as well as really prove that the oxygen diffusion happens in the ordinary jump mechanism, mainly in (CuO2)-layers

  18. The effects of zeolite molecular sieve based surface treatments on the properties of wool fabrics

    Science.gov (United States)

    Carran, Richard S.; Ghosh, Arun; Dyer, Jolon M.

    2013-12-01

    Wool is a natural composite fiber, with keratin and keratin-associated proteins as the key molecular components. The outermost surface of wool fibers comprises a hydrophobic lipid layer that can lead to unsatisfactory processing and properties of fabric products. In this study, molecular sieve 5A, a Na+ and Ca2+ exchanged type A zeolite with a 1:1 Si:Al ratio was integrated onto the surface of wool using 3-mercaptopropyl trimethoxy silane. The resultant surface morphology, hydrophilicity and mechanical performance of the treated wool fabrics were then evaluated. Notably, the surface hydrophilicity of wool was observed to increase dramatically. When wool was treated with a dispersion of 2 wt% acetic acid, 2.5 wt% zeolite and 0.3 wt% or more silane, the water contact angle was observed to decrease from an average value of 148° to 0° over a period of approximately 30 s. Scanning electron microscopic imaging indicated good coverage of the wool surface with zeolite particles, with infrared spectroscopic evaluation indicating strong bonding of the dealuminated zeolite to wool keratins. This application of zeolite showed no adverse effects on the tensile and other mechanical properties of the fabric. This study indicates that zeolite-based treatment is a potentially efficient approach to increasing the surface hydrophilicity and modifying other key surface properties of wool and wool fabrics.

  19. Probing flexibility in porphyrin-based molecular wires using double electron electron resonance.

    Science.gov (United States)

    Lovett, Janet E; Hoffmann, Markus; Cnossen, Arjen; Shutter, Alexander T J; Hogben, Hannah J; Warren, John E; Pascu, Sofia I; Kay, Christopher W M; Timmel, Christiane R; Anderson, Harry L

    2009-09-30

    A series of butadiyne-linked zinc porphyrin oligomers, with one, two, three, and four porphyrin units and lengths of up to 75 A, have been spin-labeled at both ends with stable nitroxide TEMPO radicals. The pulsed EPR technique of double electron electron resonance (DEER) was used to probe the distribution of intramolecular end-to-end distances, under a range of conditions. DEER measurements were carried out at 50 K in two types of dilute solution glasses: deutero-toluene (with 10% deutero-pyridine) and deutero-o-terphenyl (with 5% 4-benzyl pyridine). The complexes of the porphyrin oligomers with monodentate ligands (pyridine or 4-benzyl pyridine) principally adopt linear conformations. Nonlinear conformations are less populated in the lower glass-transition temperature solvent. When the oligomers bind star-shaped multidentate ligands, they are forced to bend into nonlinear geometries, and the experimental end-to-end distances for these complexes match those from molecular mechanics calculations. Our results show that porphyrin-based molecular wires are shape-persistent, and yet that their shapes can deformed by binding to multivalent ligands. Self-assembled ladder-shaped 2:2 complexes were also investigated to illustrate the scope of DEER measurements for providing structural information on synthetic noncovalent nanostructures. PMID:19736940

  20. Structural changes in a Schiff base molecular assembly initiated by scanning tunneling microscopy tip

    Science.gov (United States)

    Tomak, A.; Bacaksiz, C.; Mendirek, G.; Sahin, H.; Hur, D.; Görgün, K.; Senger, R. T.; Birer, Ö.; Peeters, F. M.; Zareie, H. M.

    2016-08-01

    We report the controlled self-organization and switching of newly designed Schiff base (E)-4-((4-(phenylethynyl) benzylidene) amino) benzenethiol (EPBB) molecules on a Au (111) surface at room temperature. Scanning tunneling microscopy and spectroscopy (STM/STS) were used to image and analyze the conformational changes of the EPBB molecules. The conformational change of the molecules was induced by using the STM tip while increasing the tunneling current. The switching of a domain or island of molecules was shown to be induced by the STM tip during scanning. Unambiguous fingerprints of the switching mechanism were observed via STM/STS measurements. Surface-enhanced Raman scattering was employed, to control and identify quantitatively the switching mechanism of molecules in a monolayer. Density functional theory calculations were also performed in order to understand the microscopic details of the switching mechanism. These calculations revealed that the molecular switching behavior stemmed from the strong interaction of the EPBB molecules with the STM tip. Our approach to controlling intermolecular mechanics provides a path towards the bottom-up assembly of more sophisticated molecular machines.

  1. Multispectral excitation based multiple fluorescent targets resolving in fluorescence molecular tomography

    Science.gov (United States)

    Zhou, Yuan; Guang, Huizhi; Pu, Huangsheng; Zhang, Jiulou; Bai, Jing; Luo, Jianwen

    2016-04-01

    Fluorescence molecular tomography (FMT) can visualize biological activities at cellular and molecular levels in vivo, and has been extensively used in drug delivery and tumor detection research of small animals. The ill-posedness of the FMT inverse problem makes it difficult to reconstruct and resolve multiple adjacent fluorescent targets that have different functional features but are labeled with the same fluorochrome. An algorithm based on independent component analysis (ICA) for multispectral excited FMT is proposed to resolve multiple fluorescent targets in this study. Fluorescent targets are excited by multispectral excitation, and the three-dimensional distribution of fluorescent yields under the excitation spectrum is reconstructed by an iterative Tikhonov regularization algorithm. Subsequently, multiple fluorescent targets are resolved from mixed fluorescence signals by employing ICA. Simulations were performed and the results demonstrate that multiple adjacent fluorescent targets can be resolved if the number of excitation wavelengths is not smaller than that of fluorescent targets with different concentrations. The algorithm obtains both independent components that provide spatial information of different fluorescent targets and spectral courses that reflect variation trends of fluorescent yields along with the excitation spectrum. By using this method, it is possible to visualize the metabolism status of drugs in different structure organs, and quantitatively depict the variation trends of fluorescent yields of each functional organ under the excitation spectrum. This method may provide a pattern for tumor detection, drug delivery and treatment monitoring in vivo.

  2. Anisotropy induced Kondo splitting in a mechanically stretched molecular junction: A first-principles based study

    Energy Technology Data Exchange (ETDEWEB)

    Wang, Xiaoli; Hou, Dong, E-mail: houdong@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Zheng, Xiao, E-mail: xz58@ustc.edu.cn [Hefei National Laboratory for Physical Sciences at the Microscale and Synergetic Innovation Center of Quantum Information and Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026 (China); Guizhou Provincial Key Laboratory of Computational Nano-Material Science, Institute of Applied Physics, Guizhou Normal College, Guiyang, Guizhou 550018 (China); Yan, YiJing [Hefei National Laboratory for Physical Sciences at the Microscale, iChEM (Collaborative Innovation Center of Chemistry for Energy Materials), University of Science and Technology of China, Hefei, Anhui 230026 (China); Department of Chemistry, Hong Kong University of Science and Technology, Hong Kong (China)

    2016-01-21

    The magnetic anisotropy and Kondo phenomena in a mechanically stretched magnetic molecular junction are investigated by combining the density functional theory (DFT) and hierarchical equations of motion (HEOM) approach. The system is comprised of a magnetic complex Co(tpy–SH){sub 2} sandwiched between adjacent gold electrodes, which is mechanically stretched in experiments done by Parks et al. [Science 328, 1370 (2010)]. The electronic structure and mechanical property of the stretched system are investigated via the DFT calculations. The HEOM approach is then employed to characterize the Kondo resonance features, based on the Anderson impurity model parameterized from the DFT results. It is confirmed that the ground state prefers the S = 1 local spin state. The structural properties, the magnetic anisotropy, and corresponding Kondo peak splitting in the axial stretching process are systematically evaluated. The results reveal that the strong electron correlations and the local magnetic properties of the molecule magnet are very sensitive to structural distortion. This work demonstrates that the combined DFT+HEOM approach could be useful in understanding and designing mechanically controlled molecular junctions.

  3. Fluorescent molecularly imprinted polymer based on Navicula sp. frustules for optical detection of lysozyme.

    Science.gov (United States)

    Lim, Guat Wei; Lim, Jit Kang; Ahmad, Abdul Latif; Chan, Derek Juinn Chieh

    2016-03-01

    The direct correlation between disease and lysozyme (LYZ) levels in human body fluids makes the sensitive and convenient detection of LYZ the focus of scientific research. Fluorescent molecularly imprinted polymer has emerged as a new alternative for LYZ detection in order to resolve the limitation of immunoassays, which are expensive, unstable, require complex preparation, and are time consuming. In this study, a novel fluorescence molecularly imprinted polymer based on Navicula sp. frustules (FITC-MIP) has been synthesized via post-imprinting treatment for LYZ detection. Navicula sp. frustules were used as supported material because of their unique properties of moderate surface area, reproducibility, and biocompatibility, to address the drawbacks of nanoparticle core material with low adsorption capacity. The FITC acts as recognition signal and optical readout, whereas MIP provides LYZ selectivity. The synthesized FITC-MIP showed a response time as short as 5 min depending on the concentration of LYZ. It is found that the LYZ template can significantly quench the fluorescence intensity of FITC-MIP linearly within a concentration range of 0 to 0.025 mg mL(-1), which is well described by Stern-Volmer equation. The FITC-MIP can selectively and sensitively detect down to 0.0015 mg mL(-1) of LYZ concentration. The excellent sensing performance of FITC-MIP suggests that FITC-MIP is a potential biosensor in clinical diagnosis applications. PMID:26842746

  4. Epitope engineering and molecular metrics of immunogenicity: a computational approach to VLP-based vaccine design.

    Science.gov (United States)

    Joshi, Harshad; Lewis, Kristen; Singharoy, Abhishek; Ortoleva, Peter J

    2013-10-01

    Developing antiviral vaccines is increasingly challenging due to associated time and cost of production as well as emerging drug-resistant strains. A computer-aided vaccine design strategy is presented that could greatly accelerate the discovery process and yield vaccines with high immunogenicity and thermal stability. Our strategy is based on foreign viral epitopes engineered onto well-established virus-like particles (VLPs) and demonstrates that such constructs present similar affinity for antibodies as does a native virus. This binding affinity serves as one molecular metric of immunogenicity. As a demonstration, we engineered a preS1 epitope of hepatitis B virus (HBV) onto the EF loop of human papillomavirus VLP (HPV-VLP). HBV-associated HzKR127 antibody displayed binding affinity for this structure at distances and strengths similar to those for the complex of the antibody with the full HBV (PDBID: 2EH8). This antibody binding affinity assessment, along with other molecular immunogenicity metrics, could be a key component of a computer-aided vaccine design strategy. PMID:23933338

  5. Classification of signaling proteins based on molecular star graph descriptors using Machine Learning models.

    Science.gov (United States)

    Fernandez-Lozano, Carlos; Cuiñas, Rubén F; Seoane, José A; Fernández-Blanco, Enrique; Dorado, Julian; Munteanu, Cristian R

    2015-11-01

    Signaling proteins are an important topic in drug development due to the increased importance of finding fast, accurate and cheap methods to evaluate new molecular targets involved in specific diseases. The complexity of the protein structure hinders the direct association of the signaling activity with the molecular structure. Therefore, the proposed solution involves the use of protein star graphs for the peptide sequence information encoding into specific topological indices calculated with S2SNet tool. The Quantitative Structure-Activity Relationship classification model obtained with Machine Learning techniques is able to predict new signaling peptides. The best classification model is the first signaling prediction model, which is based on eleven descriptors and it was obtained using the Support Vector Machines-Recursive Feature Elimination (SVM-RFE) technique with the Laplacian kernel (RFE-LAP) and an AUROC of 0.961. Testing a set of 3114 proteins of unknown function from the PDB database assessed the prediction performance of the model. Important signaling pathways are presented for three UniprotIDs (34 PDBs) with a signaling prediction greater than 98.0%. PMID:26297890

  6. The effects of zeolite molecular sieve based surface treatments on the properties of wool fabrics

    International Nuclear Information System (INIS)

    Wool is a natural composite fiber, with keratin and keratin-associated proteins as the key molecular components. The outermost surface of wool fibers comprises a hydrophobic lipid layer that can lead to unsatisfactory processing and properties of fabric products. In this study, molecular sieve 5A, a Na+ and Ca2+ exchanged type A zeolite with a 1:1 Si:Al ratio was integrated onto the surface of wool using 3-mercaptopropyl trimethoxy silane. The resultant surface morphology, hydrophilicity and mechanical performance of the treated wool fabrics were then evaluated. Notably, the surface hydrophilicity of wool was observed to increase dramatically. When wool was treated with a dispersion of 2 wt% acetic acid, 2.5 wt% zeolite and 0.3 wt% or more silane, the water contact angle was observed to decrease from an average value of 148° to 0° over a period of approximately 30 s. Scanning electron microscopic imaging indicated good coverage of the wool surface with zeolite particles, with infrared spectroscopic evaluation indicating strong bonding of the dealuminated zeolite to wool keratins. This application of zeolite showed no adverse effects on the tensile and other mechanical properties of the fabric. This study indicates that zeolite-based treatment is a potentially efficient approach to increasing the surface hydrophilicity and modifying other key surface properties of wool and wool fabrics

  7. UV curable lens production using molecular weight controlled PEEK based acrylic oligomer (Ac-PEEK).

    Science.gov (United States)

    İnan, Tulay Y; Yıldız, Emel; Karaca, Birsen; Dogan, Hacer; Vatansever, Alican; Nalbant, Muhammed; Eken, Koray

    2014-08-01

    We produced UV curable lenses with properties blocking short wave UV light. In the UV-curable formulations, we used an oligomer (Ac-PEEK) with another urethan oligomer (Mw = 2000). Radically active, molecular weight controlled Ac-PEEK was obtained by reacting 2-hydroxyl ethyl methacrylate with molecular- weight- controlled and isocyanate terminated PEEK (Mn = 4500). We characterized all synthesized monomer, oligomer and optical materials with UV/Vis spectrophotometer with interferogram, elemental analyser, mass spectrophotometer, proton nuclear magnetic resonance, Fourier transform infrared spectroscopy, thermal gravimetric analyzer, differential scanning calorimeter, scanning electron microscopy and gas chromatography. Results suggested that newly synthesized oligomer with the structure of PEEK absorbs short wave UV-light. Ageing tests [ISO 11979-5, Ophthalmic implants-intraocular lenses (IOL)-Part 5: Biocompatibility] performed on the IOL materials were successful. High contact angle of the obtained lenses suggests that all lenses were hydrophobic and SEM results revealed that lenses are morphologically homogeneous. Based on all positive properties just mentioned, we safely conclude that the lenses produced in this study are very promising for IOL production. PMID:24796625

  8. Molecular Quantum Spintronics: Supramolecular Spin Valves Based on Single-Molecule Magnets and Carbon Nanotubes

    Directory of Open Access Journals (Sweden)

    Wolfgang Wernsdorfer

    2011-10-01

    Full Text Available We built new hybrid devices consisting of chemical vapor deposition (CVD grown carbon nanotube (CNT transistors, decorated with TbPc2 (Pc = phthalocyanine rare-earth based single-molecule magnets (SMMs. The drafting was achieved by tailoring supramolecular π-π interactions between CNTs and SMMs. The magnetoresistance hysteresis loop measurements revealed steep steps, which we can relate to the magnetization reversal of individual SMMs. Indeed, we established that the electronic transport properties of these devices depend strongly on the relative magnetization orientations of the grafted SMMs. The SMMs are playing the role of localized spin polarizer and analyzer on the CNT electronic conducting channel. As a result, we measured magneto-resistance ratios up to several hundred percent. We used this spin valve effect to confirm the strong uniaxial anisotropy and the superparamagnetic blocking temperature (TB ~ 1 K of isolated TbPc2 SMMs. For the first time, the strength of exchange interaction between the different SMMs of the molecular spin valve geometry could be determined. Our results introduce a new design for operable molecular spintronic devices using the quantum effects of individual SMMs.

  9. The effects of zeolite molecular sieve based surface treatments on the properties of wool fabrics

    Energy Technology Data Exchange (ETDEWEB)

    Carran, Richard S.; Ghosh, Arun, E-mail: Arun.Ghosh@agresearch.co.nz; Dyer, Jolon M.

    2013-12-15

    Wool is a natural composite fiber, with keratin and keratin-associated proteins as the key molecular components. The outermost surface of wool fibers comprises a hydrophobic lipid layer that can lead to unsatisfactory processing and properties of fabric products. In this study, molecular sieve 5A, a Na{sup +} and Ca{sup 2+} exchanged type A zeolite with a 1:1 Si:Al ratio was integrated onto the surface of wool using 3-mercaptopropyl trimethoxy silane. The resultant surface morphology, hydrophilicity and mechanical performance of the treated wool fabrics were then evaluated. Notably, the surface hydrophilicity of wool was observed to increase dramatically. When wool was treated with a dispersion of 2 wt% acetic acid, 2.5 wt% zeolite and 0.3 wt% or more silane, the water contact angle was observed to decrease from an average value of 148° to 0° over a period of approximately 30 s. Scanning electron microscopic imaging indicated good coverage of the wool surface with zeolite particles, with infrared spectroscopic evaluation indicating strong bonding of the dealuminated zeolite to wool keratins. This application of zeolite showed no adverse effects on the tensile and other mechanical properties of the fabric. This study indicates that zeolite-based treatment is a potentially efficient approach to increasing the surface hydrophilicity and modifying other key surface properties of wool and wool fabrics.

  10. DNA and RNA "traffic lights": synthetic wavelength-shifting fluorescent probes based on nucleic acid base substitutes for molecular imaging.

    Science.gov (United States)

    Holzhauser, Carolin; Wagenknecht, Hans-Achim

    2013-08-01

    The DNA base substitute approach by the (S)-3-amino-1,2-propanediol linker allows placing two fluorophores in a precise way inside a given DNA framework. The double helical architecture around the fluorophores, especially the DNA-induced twist, is crucial for the desired photophysical interactions. Excitonic, excimer, and energy transfer interactions yield fluorescent DNA and RNA probes with dual emission color readout. Especially, our DNA and RNA "traffic light" that combines the green emission of TO with the red emission of TR represents an important tool for molecular imaging and can be applied as aptasensors and as probes to monitor the siRNA delivery into cells. The concept can be extended to the synthetically easier to access postsynthetic 2'-modifications and the NIR range. Thereby, the pool of tailor-made fluorescent nucleic acid conjugates can be extended. PMID:23796243

  11. 1,8-Naphthalimide-Based Planar Small Molecular Acceptor for Organic Solar Cells.

    Science.gov (United States)

    Zhang, Jicheng; Zhang, Xuejuan; Xiao, Hongmei; Li, Guangwu; Liu, Yahui; Li, Cuihong; Huang, Hui; Chen, Xuebo; Bo, Zhishan

    2016-03-01

    Four small molecular acceptors (SM1-4) comprising a central benzene core, two thiophene bridges and two 1,8-naphthalimide (NI) terminal groups were designed and synthesized by direct C-H activation. SM1 has a planar chemical structure and forms H-aggregation as films. By attachment of different substituents on the central benzene ring, the dihedral angles between the two NI end groups of SM1-4 gradually increased, leading to a gradual decrease of planarity. SM1-4 all possess a high-lying LUMO level, matching with wide band gap (WBG) polymer donors which usually have a high-lying LUMO level. When used in OSCs, devices based on SM1 and WBG donor PCDTBT-C12 gave higher electron mobility, superior film morphology and better photovoltaic performance. After optimization, a PCE of 2.78% with a Voc of 1.04 V was achieved for SM1 based devices, which is among the highest PCEs with a Voc higher than 1 V. Our results have demonstrated that NI based planar small molecules are potential acceptors for WBG polymer based OSCs. PMID:26845638

  12. Molecular systematics of Volvocales (Chlorophyceae, Chlorophyta) based on exhaustive 18S rRNA phylogenetic analyses.

    Science.gov (United States)

    Nakada, Takashi; Misawa, Kazuharu; Nozaki, Hisayoshi

    2008-07-01

    The taxonomy of Volvocales (Chlorophyceae, Chlorophyta) was traditionally based solely on morphological characteristics. However, because recent molecular phylogeny largely contradicts the traditional subordinal and familial classifications, no classification system has yet been established that describes the subdivision of Volvocales in a manner consistent with the phylogenetic relationships. Towards development of a natural classification system at and above the generic level, identification and sorting of hundreds of sequences based on subjective phylogenetic definitions is a significant step. We constructed an 18S rRNA gene phylogeny based on 449 volvocalean sequences collected using exhaustive BLAST searches of the GenBank database. Many chimeric sequences, which can cause fallacious phylogenetic trees, were detected and excluded during data collection. The results revealed 21 strongly supported primary clades within phylogenetically redefined Volvocales. Phylogenetic classification following PhyloCode was proposed based on the presented 18S rRNA gene phylogeny along with the results of previous combined 18S and 26S rRNA and chloroplast multigene analyses. PMID:18430591

  13. Isoindigo-based polymer photovoltaics: modifying polymer molecular structures to control the nanostructural packing motif.

    Science.gov (United States)

    Kim, Yu Jin; Lee, Yun-Ji; Kim, Yun-Hi; Park, Chan Eon

    2016-07-21

    Donor molecular structures, and their packing aspects in donor:acceptor active blends, play a crucial role in the photovoltaic performance of polymer solar cells. We systematically investigated a series of isoindigo-based donor polymers within the framework of a three-dimensional (3D) crystalline motif by modifying their chemical structures, thereby affecting device performances. Although our isoindigo-based polymer series contained polymers that differed only by their alkyl side chains and/or donating units, they showed quite different nanoscale morphological properties, which resulted in significantly different device efficiencies. Notably, blends of our isoindigo-based donor polymer systems with an acceptor compound, whereby the blends had more intermixed network morphologies and stronger face-on orientations of the polymer crystallites, provided better-performing photovoltaic devices. This behavior was analyzed using atomic force microscopy (AFM) and two-dimensional grazing incidence wide angle X-ray diffraction (2D-GIWAXD). To the best of our knowledge, no correlation has been reported previously between 3D nano-structural donor crystallites and device performances, particularly for isoindigo-based polymer systems. PMID:27326694

  14. Flavanols and vascular health: molecular mechanisms to build evidence-based recommendations.

    Science.gov (United States)

    Fraga, Cesar G; Oteiza, Patricia

    2014-10-01

    Observational studies as well as public awareness and ancient medicine identify tea, wine and cocoa as healthy foods. Further compilations of epidemiological data reinforce the healthy properties of the grape, tea and cocoa derived foods and drinks made from, especially when considering cardiovascular disease, some cancers and other inflammation-related pathologies. Flavanols have emerged as bioactives responsible for such health effects, and flavanol-rich foods have been used in clinical studies. Results of these studies show a major participation of flavanols in mechanisms positively affecting endpoints of cardiovascular disease, i.e. hypertension and vascular function. In line, based on the chemistry (bioavailability and molecular structure of flavanol and target entities) several physiological mechanisms have been described backing the epidemiological and clinical studies. In summary, the discussion for defining evidence-based recommendations for flavanols is based on: a) the extensive research done and the positive results obtained support the incorporation of flavanol-rich foods as part of a healthy diet, this is a cost-effective action to ameliorate silent undesirable conditions as it is chronic inflammation; b) the fact that cardiovascular health seems especially sensitive to the beneficial effects of flavanols: based on clinical and mechanistic studies showing that certain flavanols, favor NO production; and c) the increasing technical possibilities to evaluate flavanols in foods and biological samples. Supported by UBACyT 20020120100177, CONICET PIP-20110100752, and ANPCyT PICT 2012/0765. PMID:26461285

  15. COMPOSITE POLYMERICADDITIVESDESIGNATED FORCONCRETEMIXES BASED ONPOLYACRYLATES, PRODUCTS OF THERMAL DECOMPOSITION OF POLYAMIDE-6 AND LOW-MOLECULAR POLYETHYLENE

    OpenAIRE

    Polyakov Vyacheslav Sergeevich; Padokhin Valeriy Alekseevich; Akulova Marina Vladimirovna -

    2012-01-01

    The goal of the present research is to develop polymeric additives based on aqueous dispersions of (meth)acrylic polymers, including polymethacrylates, polyacrylates, products of thermal decomposition of polyamide-6 in the vegetable oil media, and low-molecular polyethylene. Decomposition of polyamide-6 took 8…10 hours at the temperature of 245…275 °С. The mixture of low-molecular polyamides, the average molecular weight of which reached 3400…8600, was used both independently and as a consti...

  16. Análisis comparativo del tipo básico del delito de lesiones en España y en Chile. Bases para una reforma

    OpenAIRE

    Rettig Espinoza, Mauricio Alfredo

    2010-01-01

    El objeto de esta investigación es un estudio sistemático y comparativo del delito de lesiones, fundamentalmente en lo que a su tipo básico se refiere y a su relación con el sistema del delito de lesiones concebido principalmente en España y en Chile. Sin perjuicio de que existen en España monografías sobre el tema, éstas fueron escritas hace ya algunos años, al cabo de los cuales no solo se han producido reformas legislativas, sino que además la dogmática penal ha avanzado mucho. Si bien es ...

  17. Estratigrafía de la Formación La Yesera (Cretácico: Base del relleno sinrift del Grupo Salta, noroeste argentino

    Directory of Open Access Journals (Sweden)

    Ignacio F. Sabino

    2004-06-01

    Full Text Available La Formación La Yesera, unidad basal del rift del Grupo Salta, se compone de capas rojas acumuladas entre el Neocomiano Tardío y el Cenomaniano. El espesor de la Formación supera los 700 m en el depocentro de Alemanía. En la unidad se distinguen tres secciones: la inferior y la superior que son psefíticas y la intermedia, psamo-pelítica. La sección inferior, Miembro Yacutuy, se compone de conglomerados de abanico aluvial y escasas intercalaciones de arenisca y pelita de planicies fangosas. La sección media, previamente reconocida como Miembro Las Chacras, consta de areniscas y limolitas acumuladas en planicies fangosas. La sección superior, Miembro Don Bartolo, se compone de conglomerados de abanico aluvial intercalados con coladas del Basalto Isonza. En el depocentro de Brealito la Formación La Yesera supera los 2.000 m de espesor. Además de los Miembros antes mencionados, se distingue en la parte superior de la sección media un depósito limolítico de 290 m donde intercalan calizas micríticas y pelitas verdes denominado Miembro Brealito. El basamento de la cuenca está formado por rocas competentes del Macizo Pampeano y por sedimentitas ordovícicas a devónicas. Estos dos tipos de basamento con distinta reología habrían determinado escenarios diferentes como respuesta a esfuerzos tensionales durante la formación de la cuenca. Se reconocen cuatro eventos volcánicos en la cuenca, los cuales se distribuyeron según lineamientos de orientación nordeste.

  18. Research Update: Comparison of salt- and molecular-based iodine treatments of PbS nanocrystal solids for solar cells

    Energy Technology Data Exchange (ETDEWEB)

    Jähnig, Fabian; Bozyigit, Deniz; Yarema, Olesya; Wood, Vanessa [Laboratory for Nanoelectronics, ETH Zurich Gloriastrasse 35, Zurich 8044 (Switzerland)

    2015-02-01

    Molecular- and salt-based chemical treatments are believed to passivate electronic trap states in nanocrystal-based semiconductors, which are considered promising for solar cells but suffer from high carrier recombination. Here, we compare the chemical, optical, and electronic properties of PbS nanocrystal-based solids treated with molecular iodine and tetrabutylammonium iodide. Surprisingly, both treatments increase—rather than decrease—the number density of trap states; however, the increase does not directly influence solar cell performance. We explain the origins of the observed impact on solar cell performance and the potential in using different chemical treatments to tune charge carrier dynamics in nanocrystal-solids.

  19. Treatment of Chronic Inflammatory Demyelinating Polyneuropathy: From Molecular Bases to Practical Considerations

    Directory of Open Access Journals (Sweden)

    Paolo Ripellino

    2014-01-01

    Full Text Available Chronic inflammatory demyelinating polyneuropathy (CIDP is an autoimmune disease of the peripheral nervous system, in which both cellular and humoral immune responses are involved. The disease is clinically heterogeneous with some patients displaying pure motor form and others also showing a variable degree of sensory dysfunction; disease evolution may also differ from patient to patient, since monophasic, progressive, and relapsing forms are reported. Underlying such clinical variability there is probably a broad spectrum of molecular dysfunctions that are and will be the target of therapeutic strategies. In this review we first explore the biological bases of current treatments and subsequently we focus on the practical management that must also take into account pharmacoeconomic issues.

  20. Paramagnetic molecule induced strong antiferromagnetic exchange coupling on a magnetic tunnel junction based molecular spintronics device

    Science.gov (United States)

    Tyagi, Pawan; Baker, Collin; D'Angelo, Christopher

    2015-07-01

    This paper reports our Monte Carlo (MC) studies aiming to explain the experimentally observed paramagnetic molecule induced antiferromagnetic coupling between ferromagnetic (FM) electrodes. Recently developed magnetic tunnel junction based molecular spintronics devices (MTJMSDs) were prepared by chemically bonding the paramagnetic molecules between the FM electrodes along the tunnel junction’s perimeter. These MTJMSDs exhibited molecule-induced strong antiferromagnetic coupling. We simulated the 3D atomic model analogous to the MTJMSD and studied the effect of molecule’s magnetic couplings with the two FM electrodes. Simulations show that when a molecule established ferromagnetic coupling with one electrode and antiferromagnetic coupling with the other electrode, then theoretical results effectively explained the experimental findings. Our studies suggest that in order to align MTJMSDs’ electrodes antiparallel to each other, the exchange coupling strength between a molecule and FM electrodes should be ˜50% of the interatomic exchange coupling for the FM electrodes.

  1. Use of gadoxetate disodium for functional MRI based on its unique molecular mechanism.

    Science.gov (United States)

    Choi, YoonSeok; Huh, Jimi; Woo, Dong-Cheol; Kim, Kyung Won

    2016-01-01

    Gadolinium ethoxybenzyl dimeglumine (gadoxetate) is a recently developed hepatocyte-specific MRI contrast medium. Gadoxetate demonstrates unique pharmacokinetic and pharmacodynamic properties, because its uptake in hepatocytes occurs via the organic anion transporting polypeptide (OATP) transporter expressed at the sinusoidal membrane, and its biliary excretion via the multidrug resistance-associated proteins (MRPs) at the canalicular membrane. Based on these characteristics, gadoxetate-enhanced MRI can provide functional information on hepatobiliary diseases, including liver function estimation, biliary drainage evaluation and characterization of hepatocarcinogenesis. In addition, understanding its mode of action can provide an opportunity to use gadoxetate for cellular and molecular imaging. Radiologists and imaging scientists should be familiar with the basic mechanism of gadoxetate and OATP/MRP transporters. PMID:26693795

  2. Detection of molecular charge dynamics through current noise in a GaAs-based nanowire FET

    Science.gov (United States)

    Inoue, Shinya; Kuroda, Ryota; Yin, Xiang; Sato, Masaki; Kasai, Seiya

    2015-04-01

    The detection of static and dynamic molecular charge states using a GaAs-based nanowire field-effect transistor (FET) was investigated. Tetraphenylporphyrin (TPP) was put on the device as target molecules. After coating TPP on the FET, the drain current clearly decreased. On the other hand, the current largely increased by 405-nm light irradiation, indicating that TPP worked as a photo-excited donor. The light irradiation on the FET also induced a Lorentzian noise component, which was superimposed onto conventional 1/f noise. These behaviors were not seen in the gateless nanowire even with TPP. The obtained results indicated that electrical interaction between TPP and the nanowire was enhanced when a metal gate existed, although the channel was protected from TPP by the gate metal. We discuss the observed behaviors on the basis of a model where only TPP in the gate periphery modulated the channel potential and the drain current.

  3. Deformation characteristics of various grain boundary angles on AFM-based nanolithography using molecular dynamics

    International Nuclear Information System (INIS)

    Molecular dynamics simulations are performed to verify the deformation characteristics of grain boundaries on the AFM-based nanolithography. The model used has about 750,000 (Cu) atoms and is composed of two different crystal orientations. The grain boundaries are located in the center of model and have 45, 90, 135, and -135 degree angles in the xz-plane. The tool is made of rigid diamond-like carbon and is in the shape of the Berkovich indenter. The simulation has four different stages: relaxation, indentation, re-relaxation, and lithography. The simulation results reveal that the lithography deforms the grain boundary shape by the tool. The deformation of grain boundary's angle proceeds to minimize the total potential energy of whole system. Consequently, the grain boundary angle is changed about 90 degrees

  4. Protein kinase inhibitor-induced endothelial cell cytotoxicity and its prediction based on calculated molecular descriptors.

    Science.gov (United States)

    Herczenik, Eszter; Varga, Zoltán; Eros, Dániel; Makó, Veronika; Oroszlán, Melinda; Rugonfalvi-Kiss, Szabolcs; Romics, László; Füst, George; Kéri, György; Orfi, László; Cervenak, László

    2009-01-01

    Protein kinase inhibitors (PKIs) as potent signal transduction therapeutic compounds represent a very rapidly expanding group of anticancer drugs. These agents may be toxic for endothelial cells, however, very few experimental data exist on the cytotoxicity of PKIs. The aim of this study was to set up an appropriate test system for endothelial cells and to assess the structure-related cytotoxic effects of a selected library of PKIs. The inhibitor library contains several lead molecules with different basic structures and a set of modified derivatives of the lead compounds. The toxicity of PKIs did not correlate directly with the structural features of the molecules. However, we successfully built up a model based on 15 calculated molecular descriptors, which is capable of predicting cytotoxicity with acceptable probability. Our results show that the cytotoxic effects of PKIs should be taken into account for optimal drug development to overcome endothelial cell-related side effects. PMID:19519173

  5. Application of rbcL based molecular diversity analysis to algae in wastewater treatment plants.

    Science.gov (United States)

    Ghosh, Sudeshna; Love, Nancy G

    2011-02-01

    The molecular diversity of algae in the final clarifier or denitrification filter outfall from three wastewater treatment plants (WWTPs) with activated sludge based treatment was analyzed using the rbcL gene as a phylogenetic marker. The rbcL gene encodes the large subunit of the CO(2) fixing enzyme RuBisCO. Among algae identified at the WWTPs were diatoms, green algae, cyanobacteria, Eustigmatophyceae, and unknown heterokonts. A high level of diversity was observed within WWTPs with 19-24 unique rbcL sequences detected at each plant. Algae composition also varied between treatment plants. Our results show that the rbcL gene can be used as a phylogenetic marker for algae diversity analysis in a wastewater treatment context. PMID:21130646

  6. Molecular typing of Acinetobacter baumannii by automated repetitive-sequence-based PCR

    Directory of Open Access Journals (Sweden)

    Giuseppe Russello

    2011-03-01

    Full Text Available Acinetobacter baumannii has been increasingly reported as a significant causative organism of various nosocomial infections. Here we describe three different outbreaks of multidrug resistant A. baumannii started in the Intensitive Care Unit and then involving other wards of San Carlo Borromeo hospital in Milan, Italy. In order to characterize the clinical strains isolates, molecular typing using semi-automated repetitive-sequence-based PCR (rep-PCR was performed.Among the sixty-one strains analyzed, three main cluster (C1, C2, C3 were detected: C1 included six indistinguishable strains, C2 five and C3 thirty. No correlation was observed between chemosensitivity and ribotyping pattern and an high rate of carbapenems resistance was founded.

  7. A micro seismometer based on molecular electronic transducer technology for planetary exploration

    International Nuclear Information System (INIS)

    This letter describes an implementation of micromachined seismometer based on molecular electronic transducer (MET) technology. As opposed to a solid inertial mass, MET seismometer senses the movement of liquid electrolyte relative to fixed electrodes. The employment of micro-electro-mechanical systems techniques reduces the internal size of the sensing cell to 1μm and improves the reproducibility of the device. For operating bias of 600 mV, a sensitivity of 809 V/(m/s2) was measured under acceleration of 400μg(g≡9.81m/s2) at 0.32 Hz. A −115 dB (relative to (m/s2)/√(Hz)) noise level at 1 Hz was achieved. This work develops an alternative paradigm of seismic sensing device with small size, high sensitivity, low noise floor, high shock tolerance, and independence of installation angle, which is promising for next generation seismometers for planetary exploration.

  8. A molecular simulation-based method for the estimation of activity coefficients for alkane solutions

    DEFF Research Database (Denmark)

    Kontogeorgis, Georgios; Epaminondas, Voutsas; Dimitrios, Tassios

    1996-01-01

    In a recent study Sheng et al. (1995, A.I. Ch.E. J. 41 (10) 2306-2313) presented activity coefficients calculated by molecular simulation (MS) for athermal model polymer-solvent systems. Both activity coefficients of the monomeric solvent in the polymer (gamma(1)(infinity)) and of the polymer...... compared with classical and recently proposed free-volume (FV) activity coefficient models in order to conclude on the suitability of the models for phase equilibrium calculations for asymmetric systems. On the basis of the work by Sheng et al., extrapolation methods for estimating the activity coefficient...... of a solvent and that of a polymer in real solvent-polymer systems are developed here. The so-obtained MS-based activity coefficients are compared with experimental data (in the case of solvent activities) and with the predictions of various activity coefficients models (in the case of polymer activities...

  9. Preparation of electrochemical sensor for lead(II) based on molecularly imprinted film

    Science.gov (United States)

    Wang, Zhihua; Qin, Yaxin; Wang, Chu; Sun, Lijun; Lu, Xiaole; Lu, Xiaoquan

    2012-01-01

    A high selective voltammetric sensor for Pb2+ was introduced. The feasibility of utilizing strong interactions between Schiff bases and metal ion to prepare the molecularly imprinted polymers (MIPs) electrochemical sensor for Pb2+ in aqueous solutions was studied. Some parameters affecting sensor response were optimized and then a calibration curve was plotted. A dynamic linear range of 3.00 × 10-7 to 5.00 × 10-5 mol/L was obtained. The redox process of Pb2+ on the imprinted electrode is controlled by surface reaction. The stability and the life of imprinted membrane were improved by storing into diluted Pb2+ ion solution. The proposed method was applied to determination of Pb2+ in the Yellow River.

  10. Isopropylation of benzene with 2-propanol over substituted large pore aluminophosphate-based molecular sieves

    Indian Academy of Sciences (India)

    K Joseph Antony Raj; V R Vijayaraghavan

    2004-03-01

    Large pore aluminophosphate-based molecular sieves like AlPO4-5, MAPO-5, MnAPO-5 and ZAPO-5 were synthesised hydrothermally using triethylamine as a structure directing agent. These materials were characterised by X-ray diffraction (XRD), 27Al and 31P MAS-NMR, ICP-MS, -butylamine- TPD, BET and SEM. The catalytic performance of these materials was tested for isopropylation of benzene with 2-propanol at 250, 300, 350 and 400°C. The products were cumene, -DIPB (-diisopropylbenzene) and -DIPB (-diisopropylbenzene). MnAPO-5 was found to be more active than the other catalysts. Maximum conversion (20%) was noted at 350°C over MnAPO-5. The selectivity to DIPB was found to decrease with time on stream but the selectivity to cumene showed an increase after 3 h of time on stream.

  11. Asymptotic Analysis of Microtubule-Based Transport by Multiple Identical Molecular Motors

    CERN Document Server

    McKinley, Scott A; Fricks, John; Kramer, Peter R

    2011-01-01

    We describe a system of stochastic differential equations (SDEs) which model the interaction between processive molecular motors, such as kinesin and dynein, and the biomolecular cargo they tow as part of microtubule-based intracellular transport. We show that the classical experimental environment fits within a parameter regime which is qualitatively distinct from conditions one expects to find in living cells. Through an asymptotic analysis of our system of SDEs, we develop a means for applying in vitro observations of the nonlinear response by motors to forces induced on the attached cargo to make analytical predictions for two parameter regimes that have thus far eluded direct experimental observation: 1) highly viscous in vivo transport and 2) dynamics when multiple identical motors are attached to the cargo and microtubule.

  12. Prediction of Substrate-Enzyme-Product Interaction Based on Molecular Descriptors and Physicochemical Properties

    Directory of Open Access Journals (Sweden)

    Bing Niu

    2013-01-01

    Full Text Available It is important to correctly and efficiently predict the interaction of substrate-enzyme and to predict their product in metabolic pathway. In this work, a novel approach was introduced to encode substrate/product and enzyme molecules with molecular descriptors and physicochemical properties, respectively. Based on this encoding method, KNN was adopted to build the substrate-enzyme-product interaction network. After selecting the optimal features that are able to represent the main factors of substrate-enzyme-product interaction in our prediction, totally 160 features out of 290 features were attained which can be clustered into ten categories: elemental analysis, geometry, chemistry, amino acid composition, predicted secondary structure, hydrophobicity, polarizability, solvent accessibility, normalized van der Waals volume, and polarity. As a result, our predicting model achieved an MCC of 0.423 and an overall prediction accuracy of 89.1% for 10-fold cross-validation test.

  13. Prediction of substrate-enzyme-product interaction based on molecular descriptors and physicochemical properties.

    Science.gov (United States)

    Niu, Bing; Huang, Guohua; Zheng, Linfeng; Wang, Xueyuan; Chen, Fuxue; Zhang, Yuhui; Huang, Tao

    2013-01-01

    It is important to correctly and efficiently predict the interaction of substrate-enzyme and to predict their product in metabolic pathway. In this work, a novel approach was introduced to encode substrate/product and enzyme molecules with molecular descriptors and physicochemical properties, respectively. Based on this encoding method, KNN was adopted to build the substrate-enzyme-product interaction network. After selecting the optimal features that are able to represent the main factors of substrate-enzyme-product interaction in our prediction, totally 160 features out of 290 features were attained which can be clustered into ten categories: elemental analysis, geometry, chemistry, amino acid composition, predicted secondary structure, hydrophobicity, polarizability, solvent accessibility, normalized van der Waals volume, and polarity. As a result, our predicting model achieved an MCC of 0.423 and an overall prediction accuracy of 89.1% for 10-fold cross-validation test. PMID:24455714

  14. Microspheres Sensor Based on Molecularly Imprinted Polymer Synthesized by Precipitation Polymerization

    Institute of Scientific and Technical Information of China (English)

    ZHANG,Zhao-Hui; LONG,Yu-Mei; LIU,Ying-Ju; YAO,Shou-Zhuo

    2003-01-01

    A new biomimetic bulk acoustic wave sensor based on molecularly imprinted microspheres(MIM) technique was described.The sensing materials were synthesized by precipitation polymerization.By using the Scatchard analysis,the equilibrium dissociation constant KD and the apparent maximum number Qmax of the binding sites were calculated to be 3.70 mmol·L-1 and 9.11 μmol·g-1,respectively.The sensor exhibited a sensitive response to detection limit of 2×10-9 mol·L-1.The recoveries of the sensor were 95.1%-105.4%.Studies presented in this paper show that the stability of this sensor is excellent.The sensor has been applied successfully to the determination of dipyridmaole in human urine.

  15. Multilayer Edge Molecular Devices Based on Plasma Oxidation of Photolithographically Defined Bottom Metal Electrode

    OpenAIRE

    Tyagi, Pawan

    2011-01-01

    A multilayer edge molecular electronics device (MEMED), which utilize the two metal electrodes of a metal-insulator-metal tunnel junction as the two electrical leads to molecular channels, can overcome the long standing fabrication challenges for developing futuristic molecular devices. However, producing ultrathin insulator is the most challenging step in MEMED fabrication. A simplified molecular device approach was developed by avoiding the need of depositing a new materiel on the bottom el...

  16. Bienvenida la Medicina Molecular

    Directory of Open Access Journals (Sweden)

    Orlando R. Serrano-Barrera

    2015-11-01

    Full Text Available No ha cambiado la medicina, sino que ha avanzado. Los métodos clínico-epidemiológicos  incluyen hoy y se benefician del conocimiento de las bases moleculares del proceso salud-enfermedad, tanto las variaciones individuales, como los caracteres compartidos por comunidades y poblaciones, que las hacen resistentes o vulnerables a una enfermedad. La estimación presintomática e, incluso, prenatal del riesgo de enfermar, el diagnóstico, el pronóstico, la elección del tratamiento más ajustado al paciente, las posibilidades de rehabilitación y reinserción social, la educación y promoción sanitarias son todos momentos del proceso de toma de decisiones, que el médico debe asumir en el nuevo escenario de una ciencia que ha logrado discernir las implicaciones de un número creciente de moléculas, sus variantes, sus formas mutadas y sus interacciones con otras moléculas y con factores ambientales. (1 ¿Cuán lejos está tal panorama de nuestra práctica clínica? También en nuestros escenarios se hace medicina molecular. Así ha sido desde que en 1949 Pauling catalogara la primera enfermedad molecular: la anemia drepanocítica. (2 La más temprana acción de prevención, la vacunación, se realiza a diario en las áreas de salud e incluye preparados conformados por moléculas obtenidas por vía recombinante o síntesis química, como el antígeno de superficie del virus de la hepatitis B y el polisacárido de membrana del Haemophilus influenzae, respectivamente. (3 La pesquisa poblacional de cáncer de próstata, enfocado hacia los hombres mayores de 50 años o con síntomas sugestivos, se auxilia de la cuantificación en sangre del antígeno prostático específico. (4 El tratamiento del infarto agudo del miocardio, ahora la segunda causa de muerte en Cuba, incluye la trombolisis con estreptocinasa, otra biomolécula recombinante. (5 En desarrollo, en etapa de ensayos clínicos o ya como productos registrados algunas vacunas terap

  17. Detección molecular del virus de la hepatitis E en hígados de cerdo destinados al consumo humano en el estado de Nuevo León, México Molecular detection of hepatitis E virus in pig livers destined for human consumption in the state of Nuevo Leon, Mexico

    Directory of Open Access Journals (Sweden)

    Marco Antonio Cantú-Martínez

    2013-04-01

    Full Text Available OBJETIVO: Detección molecular del virus de la hepatitis E (VHE en hígado de cerdo para consumo humano en Nuevo León, México. MATERIAL Y MÉTODOS Se analizaron 127 hígados de cerdo (87 obtenidos de rastros TIF, y 40 de carnicerías mediante RT-PCR semianidado para amplificar un fragmento de 212 pb del gen ORF2 del VHE. RESULTADOS: El 19.5% (17 de los hígados de rastros y 22.5% (9 de carnicerías fueron positivos. La secuenciación mostró 94-95% de homología con el genotipo 3. CONCLUSIONES: Los resultados indican que el VHE circula en granjas porcinas del estado, lo que constituye una probable fuente de contaminación para los productos cárnicos porcinos.OBJECTIVE: Molecular detection of HEV in pig livers destined for human consumption in Nuevo Leon, Mexico. MATERIALS AND METHODS: 87 livers were collected from pigs slaughtered in TIF and 40 livers from butchers. A 212 pb fragment of HEV ORF2 gene was amplified by semi-nested RT-PCR. RESULTS: 19.54% (17 of tif's and 22.5% (9 of buthcer's livers were positive for HEV. Sequencing of the amplified products showed a 94%-95% homology with the sequences reported for genotype 3. CONCLUSIONS: Our results indicate that HEV is circulating in swine herds in the state, constituting a probable source of contamination of pig meat products.

  18. Molecular analysis of the human laminin alpha3a chain gene (LAMA3a): a strategy for mutation identification and DNA-based prenatal diagnosis in Herlitz junctional epidermolysis bullosa.

    Science.gov (United States)

    Pulkkinen, L; Cserhalmi-Friedman, P B; Tang, M; Ryan, M C; Uitto, J; Christiano, A M

    1998-09-01

    Mutations in the genes (LAMA3, LAMB3, and LAMC2) encoding the subunit polypeptides of the cutaneous basement membrane zone protein laminin 5 have been reported in different forms of junctional epidermolysis bullosa (JEB), an inherited blistering skin disease. In this study, we present the complete exon-intron organization of the "a" transcript of the laminin alpha3 chain gene, LAMA3a, which is expressed primarily in the skin. We have performed fine-resolution mapping of this gene on chromosome 18q11.2 using a human-hamster radiation hybrid panel. We have also developed a mutation-detection strategy based on the exon-intron structure of LAMA3a. This strategy, based on PCR amplification of genomic sequences, followed by heteroduplex scanning and automated nucleotide sequencing, was used for successful mutation screening in a family with the lethal (Herlitz) type of JEB, and two novel LAMA3 mutations were identified in the proband. The mutations consisted of a single-base pair deletion in LAMA3a exon A11 on the paternal allele, designated 1239delC, and a two-base pair deletion in LAMA3a exon A23 on the maternal allele, designated 2959delGG. This information was also used for DNA-based prenatal testing in a subsequent pregnancy in this family. Collectively, these results attest to our expanding capability to elucidate the genetic basis of various forms of epidermolysis bullosa using molecular techniques. PMID:9759651

  19. Allocation of the transmission service cost with base in marginal costs of the transmission network expansion; Asignacion del costo del servicio de transmision con base en costos marginales de expansion de la red de transmision

    Energy Technology Data Exchange (ETDEWEB)

    Ruiz Casillas, Manuel E.; Nieva Gomez, Rolando [Instituto de Investigaciones Electricas, Temixco, Morelos (Mexico)

    2001-07-01

    The transmission charges to the users must be completely defined in those systems where the restructuring has broken up the traditional functions of the companies; in order to introduce competition in the generation and commercialization segments of the electrical energy. The fundamentals of a method used are explained to assure the transmission service cases between their users. The method is based on the marginal expansion costs of the transmission network. Their more known applications have been in competitive markets of energy, in particular, where the energy price is the same one in all the localities. Nevertheless, it can be used under other forms of organization of the electrical industry. In order to illustrate results, the obtained ones from their application to the most important part of the transmission network of the Mexican system that operates interconnected, are presented. [Spanish] Los cargos de transmision a los usuarios deben estar completamente definidos en aquellos sistemas donde la reestructuracion ha desagregado las funciones tradicionales de las empresas; para introducir competencia en los segmentos de generacion y comercializacion de la energia electrica. Se explican los fundamentos de un metodo utilizado para asegurar los casos del servicio de transmision entre sus usuarios. El metodo se basa en los costos marginales de expansion de la red de transmision. Sus aplicaciones mas conocidas han sido en mercados competitivos de energia, en particular, donde el precio de la energia es el mismo en todas las localidades. Sin embargo, puede utilizarse bajo otras formas de organizacion de la industria electrica. Con el proposito de ilustrar resultados, se muestran los obtenidos de su aplicacion a la parte mas importante de la red de transmision del sistema mexicano que opera interconectada.

  20. Molecular bases for parallel evolution of translucent bracts in an alpine "glasshouse" plant Rheum alexandrae (Polygonaceae)

    Institute of Scientific and Technical Information of China (English)

    Bing-Bing LIU; Lars OPGENOORTH; Georg MIEHE; Dong-Yuan ZHANG; Dong-Shi WAN; Chang-Ming ZHAO; Dong-Rui JIA

    2013-01-01

    Parallel evolution provides an excellent framework to infer the genetic bases of adaptive traits and understand the importance of natural selection in shaping current biodiversity.The upper leaves of the "glasshouse plants" transform into translucent bracts that show numerous adaptions in alpine habitats.It remains unknown whether similar molecular changes occur under the parallel bract evolution of different "glasshouse" species.In this study,we compared the results on phenotypic and physiological differences and presented the results of cDNA-AFLP analyses of transcriptional changes between translucent bracts and normal leaves in Rheum alexandrae.We also examined the homologous candidate genes with the same expression changes between this species and another "glasshouse" species,R.nobile.We found that bracts ofR.alexandrae are similar to those ofR.nobile in anatomical features:chloroplasts have degenerated and chlorophyll contents are greatly reduced,which suggests that foliar photosynthetic functions in bracts of both species have been reduced or totally altered.Among the 6000 transcript-derived fragments (TDFs) in bracts and leaves of R.alexandrae,420 (7%) were differentially expressed (up-or downregulated) between bracts and normal leaves.There were a total of 13 homologous TDFs with the same expression changes between R.alexandrae and the previously studied R.nobile.Except for the two that were not functionally annotated,eight of the homologous TDFs were found to be involved in stress and defense responses whereas the other three were related to photosynthesis.The up-or downregulation of these candidate genes was highly congruent with anatomical characteristics and adaptive functions of the bracts found for "glasshouse" plants.These findings suggested that the "glasshouse" phenotypes may have common molecular bases underlying their parallel evolution of similar adaptive functions and highlighted the importance of the natural selection in producing such