Vulnerability analysis of RC buildings with wide beams located in moderate seismicity regions

A significant number of short-to-mid height RC buildings with wide beams have been constructed in areas of moderate seismicity of Spain, mainly for housing and administrative use. The buildings have a framed structure with one-way slabs; the wide beams constitute the distinctive characteristic, their depth being equal to that of the rest of the slab, thus providing a flat lower surface, convenient for construction and the layout of facilities. Seismic behavior in the direction of the wide beams appears to be deficient because of: (i) low lateral strength, mainly because of the small effective depth of the beams, (ii) inherent low ductility of the wide beams, generated by high amount of reinforcement, (iii) the big strut compressive forces developed inside the column-beam connections due to the low height of the beams, and (iv) the fact that the wide beams are wider than the columns, meaning that the contribution of the outer zones to the resistance of the beam-column joints is unreliable because there is no torsion reinforcement. In the orthogonal direction, the behavior is worse since the only members of the slabs that contribute to the lateral resistance are the joists and the façade beams. Moreover, these buildings were designed with codes that did not include ductility requirements and required only a low lateral resistance; indeed, in many cases, seismic action was not considered at all. Consequently, the seismic capacity of these structures is not reliable. The objective of this research is to assess numerically this capability, whereas further research will aim to propose retrofit strategies. The research approach consists of: (i) selecting a number of 3-story and 6-story buildings that represent the vast majority of the existing ones and (ii) evaluating their vulnerability through three types of analyses, namely: code-type, push-over and nonlinear dynamic analysis. Given the low lateral resistance of the main frames, the cooperation of the masonry infill walls is accounted for; for each representative building, three wall densities are considered. The results of the analyses show that the buildings in question exhibit inadequate seismic behavior in most of the examined situations. In general, the relative performance is less deficient for Target Drift CP (Collapse Prevention) than for IO (Immediate Occupancy). Since these buildings are selected to be representative of the vast majority of buildings with wide beams that were constructed in Spain without accounting for any seismic consideration, our conclusions can be extrapolated to a broader scenario.

Polypropylene/glass fiber hierarchical composites incorporating inorganic fullerene-like nanoparticles for advanced technological applications

Novel isotactic polypropylene (iPP)/glass fiber (GF) laminates reinforced with inorganic fullerene-like tungsten disulfide (IF-WS2) nanoparticles as environmentally friendly fillers have been successfully fabricated by simple melt-blending and fiber impregnation in a hot-press without the addition of any compatibilizer. The influence of IF-WS2 concentration on the morphology, viscosity. and thermal and mechanical behavior of the hierarchical composites has been investigated. Results revealed an unprecedented 62 °C increase in the degradation temperature of iPP/GF upon addition of only 4.0 wt % IF-WS2. The coexistence of both micro- and nanoscale fillers resulted in synergistic effects on enhancing the stiffness, strength, crystallinity, thermal stability, glass transition (Tg) and heat distortion temperature (HDT) of the matrix. The approach used in this work is an efficient, versatile, scalable and economic strategy to improve the mechanical and thermal behavior of GF-reinforced thermoplastics with a view to extend their use in advanced technological applications. This new type of composite materials shows great potential to improve the efficiency and sustainability of many forms of transport.

Incorporating Group Recommendations to Recommender Systems: Alternatives and Performance

La importancia de los sistemas de recomendación ha experimentado un crecimiento exponencial como consecuencia del auge de las redes sociales. En esta tesis doctoral presentaré una amplia visión sobre el estado del arte de los sistemas de recomendación. Incialmente, estos estaba basados en fitrado demográfico, basado en contendio o colaborativo. En la actualidad, estos sistemas incorporan alguna información social al proceso de recomendación. En el futuro utilizarán información implicita, local y personal proveniente del Internet de las cosas. Los sistemas de recomendación basados en filtrado colaborativo se pueden modificar con el fin de realizar recomendaciones a grupos de usuarios. Existen trabajos previos que han incluido estas modificaciones en diferentes etapas del algoritmo de filtrado colaborativo: búsqueda de los vecinos, predicción de las votaciones y elección de las recomendaciones. En esta tesis doctoral proporcionaré un nuevo método que realizar el proceso de unficación (pasar de varios usuarios a un grupo) en el primer paso del algoritmo de filtrado colaborativo: cálculo de la métrica de similaridad. Proporcionaré una formalización completa del método propuesto. Explicaré cómo obtener el conjunto de k vecinos del grupo de usuarios y mostraré cómo obtener recomendaciones usando dichos vecinos. Asimismo, incluiré un ejemplo detallando cada paso del método propuesto en un sistema de recomendación compuesto por 8 usuarios y 10 items. Las principales características del método propuesto son: (a) es más rápido (más eficiente) que las alternativas proporcionadas por otros autores, y (b) es al menos tan exacto y preciso como otras soluciones estudiadas. Para contrastar esta hipótesis realizaré varios experimentos que miden la precisión, la exactitud y el rendimiento del método. Los resultados obtenidos se compararán con los resultados de otras alternativas utilizadas en la recomendación de grupos. Los experimentos se realizarán con las bases de datos de MovieLens y Netflix. ABSTRACT The importance of recommender systems has grown exponentially with the advent of social networks. In this PhD thesis I will provide a wide vision about the state of the art of recommender systems. They were initially based on demographic, contentbased and collaborative filtering. Currently, these systems incorporate some social information to the recommendation process. In the future, they will use implicit, local and personal information from the Internet of Things. As we will see here, recommender systems based on collaborative filtering can be used to perform recommendations to group of users. Previous works have made this modification in different stages of the collaborative filtering algorithm: establishing the neighborhood, prediction phase and determination of recommended items. In this PhD thesis I will provide a new method that carry out the unification process (many users to one group) in the first stage of the collaborative filtering algorithm: similarity metric computation. I will provide a full formalization of the proposed method. I will explain how to obtain the k nearest neighbors of the group of users and I will show how to get recommendations using those users. I will also include a running example of a recommender system with 8 users and 10 items detailing all the steps of the method I will present. The main highlights of the proposed method are: (a) it will be faster (more efficient) that the alternatives provided by other authors, and (b) it will be at least as precise and accurate as other studied solutions. To check this hypothesis I will conduct several experiments measuring the accuracy, the precision and the performance of my method. I will compare these results with the results generated by other methods of group recommendation. The experiments will be carried out using MovieLens and Netflix datasets.

Using damage from 2010 Haiti earthquake for vulnerability estimation of typical structures in Port-au-Prince (Haiti).

After the 2010 Haiti earthquake, that hits the city of Port-au-Prince, capital city of Haiti, a multidisciplinary working group of specialists (seismologist, geologists, engineers and architects) from different Spanish Universities and also from Haiti, joined effort under the SISMO-HAITI project (financed by the Universidad Politecnica de Madrid), with an objective: Evaluation of seismic hazard and risk in Haiti and its application to the seismic design, urban planning, emergency and resource management. In this paper, as a first step for a structural damage estimation of future earthquakes in the country, a calibration of damage functions has been carried out by means of a two-stage procedure. After compiling a database with observed damage in the city after the earthquake, the exposure model (building stock) has been classified and through an iteratively two-step calibration process, a specific set of damage functions for the country has been proposed. Additionally, Next Generation Attenuation Models (NGA) and Vs30 models have been analysed to choose the most appropriate for the seismic risk estimation in the city. Finally in a next paper, these functions will be used to estimate a seismic risk scenario for a future earthquake.

Study of seismic vulnerability and the damage seen in the town of Lorca after the earthquake of 2011.

Análisis de los factores de vulnerabilidad que mas influencia han tenido en el daño del terremoto de Lorca.

Analysis of urban parameters in the characterization of seismic vulnerability: application to the city of Lorca.

Estimación de la intensidad tras el terremoto de Lorca.

Incorporating equity into transport planning: utility, priority and sufficiency approaches

The analysis addresses the issue of transport equity and explores three different approaches to equity in transport: utilitarianism, sufficientarianism and prioritarianism. Each approach calls for a different treatment of the benefits reaped by different population groups in the assessment of transport investments or policies. In utilitarianism, which underlies much of the current practice of transport project appraisal, all benefits receive the same weight, irrespective of the recipient of the benefits. In both sufficientarianism and prioritarianism, benefits are weighed in distinct ways, depending on the characteristics of the recipients. The three approaches are illustrated using a fictive case study, in which three different transport investment are assessed and compared to each other. Finally, the assessment of transport investments will be explored using the cost-effectiveness analysis (CEA). The CEA assesses the distributional effects of transport investments for utilitarism, sufficientarism and prioritarism approaches and addresses distinct needs associated with different population groups in respect to their transport

Improving Crop Models: Incorporating New Processes, New Approaches, and Better Calibrations

Early ancestors of crop simulation models (De Wit, 1965; Monteith, 1965; Duncan et al., 1967) were born before primitive personal computers were available (e.g. Apple II released in 1977, IBM PC released in 1981). Paleo-computer programs were run in mainframes with the support of punch cards. As computers became more available and powerful, crop models evolved into sophisticated tools summarizing our understanding of how crops operate. This evolution was triggered by the need to answer new scientific questions and improve the accuracy of model simulations, especially under limiting conditions.

Multiscale-fiber-reinforced thermoplastic composites incorporating carbon nanotubes: A review

This article reviews recent literature on hierarchical thermoplastic-based composites that simultaneously incorporate carbon nanotubes (CNTs) and conventional microscale fibers, and discusses the structure?property relationships of the resulting hybrids. The mixing of multiple and multiscale constituents enables the preparation of materials with new or improved properties due to synergistic effects. By exploiting the outstanding mechanical, thermal and electrical properties of CNTs, a new generation of multifunctional high-performance composites suitable for a wide variety of applications can be developed.

Indicadores de sostenibilidad de la gestión integral de las aguas de lluvia en los entornos urbanos : aplicación a la ciudad de Zaragoza

En un contexto de rápido crecimiento de la población urbana y de cambio climático global, la consecución de un modelo de desarrollo sostenible pasa inevitablemente por construir ciudades más sostenibles. Basado en una intensiva impermeabilización de los suelos, el modelo actual de desarrollo urbano modifica profundamente el ciclo natural del agua en las ciudades. La drástica reducción de la capacidad de infiltración del terreno hace que gran parte de la precipitación se transforme en escorrentía superficial, que se concentra rápidamente originando grandes caudales punta. Además, el lavado de las superficies urbanas aporta altas cargas de contaminación a la escorrentía que producen importantes impactos en los medios receptores. Esta realidad motiva la realización de la presente tesis doctoral cuyo objetivo general es contribuir a la consecución de ciudades sostenibles a través de la gestión integral de las aguas de lluvia en los entornos urbanos. Con el objetivo prioritario de minimizar los riesgos de inundación, el enfoque convencional del drenaje urbano desarrolló las primeras soluciones en relación a los caudales punta, centralizando su gestión en el sistema de saneamiento e incorporando la escorrentía al mismo tan rápido como fuera posible. Pero en episodios de lluvias intensas la sobrecarga tanto hidráulica como de contaminación del sistema provoca un incremento de la vulnerabilidad de la población a las inundaciones, una falta de garantía de salud pública y graves impactos sobre los medios receptores. La aprobación en 1987 del CleanWaterAct en Estados Unidos, en el que se reconoció por primera vez el problema de la contaminación aportada por la escorrentía urbana, fue el punto de partida de un nuevo enfoque que promueve un conjunto de técnicas de drenaje que integran aspectos como cantidad de agua, calidad de agua y servicio a la sociedad. Estas técnicas, conocidas como Sistemas de Drenaje Sostenible (SUDS), son consideradas como las técnicas más apropiadas para gestionar los riesgos resultantes de la escorrentía urbana así como para contribuir a la mejora medioambiental de la cuenca y de los ecosistemas receptores. La experiencia internacional apunta a que la efectiva incorporación de los SUDS como sistemas habituales en el desarrollo urbano debe basarse en tres elementos clave: El desarrollo de un marco normativo, la aplicación de instrumentos económicos y la participación ciudadana activa en el proceso. Además se identifica como una de las líneas estratégicas para avanzar en la resolución de la problemática el desarrollo y aplicación de metodologías que apoyen el proceso de toma de decisiones basadas en indicadores cuantificables. Convergiendo con esta línea estratégica la presente tesis doctoral define unos indicadores de sostenibilidad focalizados en una temática no desarrollada hasta el momento, la gestión integral de las aguas de lluvia. Para ello, se aplica el marco analítico Presión-Estado–Respuesta bajo un enfoque que rebasa el sistema de saneamiento, enmarcando la gestión de las aguas de lluvia en las múltiples y complejas interrelaciones del sistema urbano. Así se determinan indicadores de presión, de estado y de respuesta para cada elemento del sistema urbano (Medio Receptor – Cuenca Urbana – Sistema de Saneamiento), definiendo para cada indicador el objetivo específico, la unidad de medición, la tendencia deseada de evolución y la periodicidad de seguimiento recomendada. La validez de la metodología propuesta se comprueba en el estudio de caso de la ciudad de Zaragoza. La determinación de los indicadores permite realizar un diagnóstico y definir unas líneas estratégicas de actuación que contemplan mejoras no sólo en el sistema de saneamiento y drenaje urbano, sino también en el marco normativo, urbanístico, económico, social y ambiental. Finalmente, se concluye que la integración de la gestión de las aguas de lluvia en las políticas de ordenación del territorio, el desarrollo de mecanismos de coordinación institucional, la mejora del marco normativo y la aplicación de instrumentos económicos son elementos clave para la gestión integral de las aguas de lluvia y el consecuente desarrollo de ciudades más sostenibles en España. In a context of rapid urbanization and global climate change, coping with sustainable development challenges requires the development of sustainable cities. Based on an intensive soil permeability reduction, the current development model deeply modifies the natural water cycle in the urban environment. Reduction of soil infiltration capacity turns most of the rainwater into surface runoff, rapidly leading to heavy peak flows which are highly contaminated due to the flushing of the urban surface. This is the central motivation for this thesis, which aspires to contribute to the attainment of more sustainable cities through an integrated management of rainwater in urban environments. With the main objective of minimizing floods, the conventional approach of drainage systems focused on peak flows, centralizing their management on the sewage system and incorporating flows as fast as possible. But during heavy rains the hydraulic and contamination overcharge of the sewage system leads to an increase in the vulnerability of the population, in regards to floods and lack of public health, as well as to severe impacts in receiving waters. In 1987, the United States’Clean Water Act Declaration, which firstly recognized the problem of runoff contamination, was the starting point of a new approach that promotes a set of techniques known as Sustainable Drainage Systems (SUDS)that integrates issues such as quantity of water, quality of water and service to society. SUDS are considered the most suitable set of techniques to manage the risks resulting from urban runoff, as well as to contribute to the environmental enhancement of urban basins and of the aquatic ecosystems. International experience points out that the effective adoption of SUDS as usual systems in urban development must be based on three key elements: The enhancement of the legal frame, the application of economic tools and the active public participation throughout the process. Additionally, one of the strategic actions to advance in the resolution of the problem is the development and application of methodologies based in measurable indicators that support the decision making process. In that line, this thesis defines a set of sustainability indicators focused in integrated management of rainwater. To that end, the present document applies the analytical frame Pressure – State – Response under an approach that goes beyond the sewage system and considers the multiple and complex interrelations within urban systems. Thus, for the three basic elements that interact in the issue (Receiving Water Bodies – Urban Basin – Sewage System) a set of Pressure – State – Response indicators are proposed, and the specific aim, the measurement unit, the desired evolution trend and the regularity of monitoring are defined for each of the indicators. The application of the proposed indicators to the case study of the city of Zaragoza acknowledged their suitability for the definition of lines of action that encompass not only the enhancement of the performance of sewage and drainage systems during rain events, but also the legal, urban, economic, social and environmental framework. Finally, this thesis concludes that the inclusion of urban rainwater management issues in the definition of regional planning policies, the development of mechanisms to attain an effective institutional coordination, the enhancement of the legal framework and the application of economic tools are key elements in order to achieve an integrated rainwater management and the subsequent sustainability of urban development in Spain.

Desarrollos metodológicos y aplicaciones hacia el cálculo de la peligrosidad sísmica en el ecuador continental y estudio de riesgo sísmico en la ciudad de Quito

En el presente trabajo de tesis se desarrolla, en primer lugar, un estudio de peligrosidad sísmica en Ecuador continental, siguiendo una metodología probabilista zonificada. El estudio se plantea a escala regional y presenta como principales aportaciones: 1) la elaboración de un Estado del Arte sobre Tectónica y Geología de Ecuador, concluyendo con la identificación de las principales fuentes sísmicas; 2) La confección de un Catálogo Sísmico de proyecto, recopilando información de distintas agencias, que ha sido homogeneizado a magnitud momento, Mw, depurado de réplicas y premonitores y corregido por la falta de completitud para la estimación de tasas en diferentes rangos de magnitud; 3) la propuesta de un nueva zonificación sísmica, definiendo las zonas sismogenéticas en tres regímenes tectónicos: cortical, subducción interfase y subducción in-slab; 4) la caracterización sísmica de cada zona estimando los parámetros de recurrencia y Magnitud Máxima (Mmax), considerando para este último parámetro una distribución de valores posibles en función de la sismicidad y tectónica, tras un exhaustivo análisis de los datos existentes; 5) la generación de mapas de peligrosidad sísmica de Ecuador continental en términos de aceleración pico (PGA) y espectral SA (T= 1s) , en ambos casos para periodos de retorno (PR) de 475, 975 y 2475 años; 6) La estimación de espectros de peligrosidad uniforme (UHS) y sismos de control mediante desagregación de la peligrosidad, para PR de 475 y 2475 años en 4 capitales de provincia: Quito, Esmeraldas, Guayaquil y Loja. Una segunda parte del trabajo se destina al cálculo del riesgo sísmico en el Barrio Mariscal Sucre de Quito, lo que supone incidir ya a una escala municipal. Como principales contribuciones de este trabajo se destacan: 1) definición del escenario sísmico que más contribuye a la peligrosidad en Quito, que actuará como input de cálculo del riesgo; 2) caracterización de la acción sísmica asociada a ese escenario, incluyendo resultados de microzonación y efecto local en la zona de estudio; 3) Elaboración de una Base de Datos partiendo de información catastral e identificación de las tipologías dominantes; 4) Asignación de clases de vulnerabilidad y obtención de porcentajes de daño esperado en cada clase ante la acción sísmica definida previamente, con la consiguiente representación de mapas de vulnerabilidad y daño; 5) mapas de indicadores globales del riesgo sísmico; 6) Base de datos georreferenciada con toda la información generada en el estudio. Cabe destacar que el trabajo, aunque no formula nuevos métodos, si plantea una metodología integral de cálculo del riesgo sísmico, incorporando avances en cada fase abordada, desde la estimación de la peligrosidad o la definición de escenarios sísmicos con carácter hibrido (probabilista-determinista), hasta la asignación de vulnerabilidades y estimación de escenarios de daño. Esta tesis trata de presentar contribuciones hacia el mejor conocimiento de la peligrosidad sísmica en Ecuador y el riesgo sísmico en Quito, siendo uno de los primeros estudios de tesis que se desarrolla sobre estos temas en el país. El trabajo puede servir de ejemplo y punto de partida para estudios futuros; además de ser replicable en otras ciudades y municipios de Ecuador. -------------------- ABSTRACT: ------------------ This thesis first develops a study of seismic hazard in mainland Ecuador, following a zoned, probabilistic methodology. The study considers a regional scale and presents as main contributions: 1) The development of a State of Art on the Tectonics and Geology of Ecuador, concluding with the identification of the main seismic sources; 2) The creation of a Seismic Catalog project, collecting information from different agencies, which has been homogenized to Moment magnitude, Mw, purged from aftershocks and premonitories and corrected for the lack of completeness to estimate rates in different maggnitude ranges; 3) The proposal of a new seismic zoning, defining the seismogenic zones in three tectonic regimes: cortical, subduction interface and subduction in-slab; 4) The seismic characterization of each zone, estimating the parameters of recurrence and Maximum Magnitude (Mmax), considering the latter as a distribution of possible values, depending on the seismicity and tectonics, and after a thorough analysis of the existing data; 5) Seismic hazard maps of continental Ecuador in terms of peak ground acceleration (PGA) and spectral SA(T=1), and return periods (PR) of 475, 975 and 2475 years; 6) Uniform hazard spectra (UHS) and control earthquakes obtained by hazard disaggregation, for PR 475 and 2475 years in four provincial capitals: Quito, Esmeraldas, Guayaquil and Loja. The second section focuses on the calculation of seismic risk in the Quito Mariscal Sucre parish, which is already supposed to be influencing at a municipal level. The main contributions here are the: 1) Definition of the seismic scenario that contributes most to the hazard in Quito, which acts as an input in the risk calculation; 2) Characterization of the seismic action associated with that scenario, including results of micro-zoning and local effect in the study area; 3) Development of a database, based on cadastral data and identification of key typologies; 4) Allocation of vulnerability classes and obtaining percentages of damage expected in each class faced with the seismic action previously defined, with the consequent representation of maps of vulnerability and damage; 5) Global maps of seismic risk indicators; 6) Geo-referenced database with all the information generated in the study. It should be noted that although new methods are not prescribed, this study does set a comprehensive methodology for the calculation of seismic risk, incorporating advances in each phase approached, from the hazard estimation, or definition of seismic scenarios applying a hybrid (deterministic-probabilistic) method, to the allocation of vulnerabilities and estimation of damage scenarios. This thesis aims to present contributions leading to a better understanding of seismic hazard in Ecuador and seismic risk in Quito, and is one of the first studies in the country to develop such themes. This study can serve as an example and starting point for future studies, which could replicate this methodology in other cities and municipalities.

Fluid-solid interaction in arteries incorporating the autoregulation concept in boundary conditions

In pre-surgery decisions in hospital emergency cases, fast and reliable results of the solid and fluid mechanics problems are of great interest to clinicians. In the current investigation, an iterative process based on a pressure-type boundary condition is proposed in order to reduce the computational costs of blood flow simulations in arteries, without losing control of the important clinical parameters. The incorporation of cardiovascular autoregulation, together with the well-known impedance boundary condition, forms the basis of the proposed methodology. With autoregulation, the instabilities associated with conventional pressure-type or impedance boundary conditions are avoided without an excessive increase in computational costs. The general behaviour of pulsatile blood flow in arteries, which is important from the clinical point of view, is well reproduced through this new methodology. In addition, the interaction between the blood and the arterial walls occurs via a modified weak coupling, which makes the simulation more stable and computationally efficient. Based on in vitro experiments, the hyperelastic behaviour of the wall is characterised and modelled. The applications and benefits of the proposed pressure-type boundary condition are shown in a model of an idealised aortic arch with and without an ascending aorta dissection, which is a common cardiovascular disorder.

Polymerase recognition of synthetic oligodeoxyribonucleotides incorporating degenerate pyrimidine and purine bases

A universal base that is capable of substituting for any of the four natural bases in DNA would be of great utility in both mutagenesis and recombinant DNA experiments. This paper describes the properties of oligonucleotides incorporating two degenerate bases, the pyrimidine base 6H,8H-3,4-dihydropyrimido[4,5-c][1,2]oxazin-7-one and the purine base N6-methoxy-2,6-diaminopurine, designated P and K, respectively. An equimolar mixture of the analogues P and K (called M) acts, in primers, as a universal base. The thermal stability of oligonucleotide duplexes were only slightly reduced when natural bases were replaced by P or K. Templates containing the modified bases were copied by Taq polymerase; P behaved as thymine in 60% of copying events and as cytosine in 40%, whereas K behaved as if it were guanine (13%) or adenine (87%). The dUTPase gene of Caenorhabditis elegans, which we have found to contain three nonidentical homologous repeats, was used as a model system to test the use of these bases in primers for DNA synthesis. A pair of oligodeoxyribonucleotides, each 20 residues long and containing an equimolar mixture of P and K at six positions, primed with high specificity both T7 DNA polymerase in sequencing reactions and Taq polymerase in PCRs; no nonspecific amplification was obtained on genomic DNA of C. elegans. Use of P and K can significantly reduce the complexity of degenerate oligonucleotide mixtures, and when used together, P and K can act as a universal base.

A curved RNA helix incorporating an internal loop with G·A and A·A non-Watson–Crick base pairing

The crystal structure of the RNA dodecamer 5′-GGCC(GAAA)GGCC-3′ has been determined from x-ray diffraction data to 2.3-Å resolution. In the crystal, these oligomers form double helices around twofold symmetry axes. Four consecutive non-Watson–Crick base pairs make up an internal loop in the middle of the duplex, including sheared G·A pairs and novel asymmetric A·A pairs. This internal loop sequence produces a significant curvature and narrowing of the double helix. The helix is curved by 34° from end to end and the diameter is narrowed by 24% in the internal loop. A Mn2+ ion is bound directly to the N7 of the first guanine in the Watson–Crick region following the internal loop and the phosphate of the preceding residue. This Mn2+ location corresponds to a metal binding site observed in the hammerhead catalytic RNA.

Nucleic acid duplexes incorporating a dissociable covalent base pair

We have used molecular modeling techniques to design a dissociable covalently bonded base pair that can replace a Watson-Crick base pair in a nucleic acid with minimal distortion of the structure of the double helix. We introduced this base pair into a potential precursor of a nucleic acid double helix by chemical synthesis and have demonstrated efficient nonenzymatic template-directed ligation of the free hydroxyl groups of the base pair with appropriate short oligonucleotides. The nonenzymatic ligation reactions, which are characteristic of base paired nucleic acid structures, are abolished when the covalent base pair is reduced and becomes noncoplanar. This suggests that the covalent base pair linking the two strands in the duplex is compatible with a minimally distorted nucleic acid double-helical structure.