Multiphase Design and Control Techniques Applied to a Forward Micro-Inverter

En la última década la potencia instalada de energía solar fotovoltaica ha crecido una media de un 49% anual y se espera que alcance el 16%del consumo energético mundial en el año 2050. La mayor parte de estas instalaciones se corresponden con sistemas conectados a la red eléctrica y un amplio porcentaje de ellas son instalaciones domésticas o en edificios. En el mercado ya existen diferentes arquitecturas para este tipo de instalaciones, entre las que se encuentras los módulos AC. Un módulo AC consiste en un inversor, también conocido como micro-inversor, que se monta en la parte trasera de un panel o módulo fotovoltaico. Esta tecnología ofrece modularidad, redundancia y la extracción de la máxima potencia de cada panel solar de la instalación. Además, la expansión de esta tecnología posibilitará una reducción de costes asociados a las economías de escala y a la posibilidad de que el propio usuario pueda componer su propio sistema. Sin embargo, el micro-inversor debe ser capaz de proporcionar una ganancia de tensión adecuada para conectar el panel solar directamente a la red, mientras mantiene un rendimiento aceptable en un amplio rango de potencias. Asimismo, los estándares de conexión a red deber ser satisfechos y el tamaño y el tiempo de vida del micro-inversor son factores que han de tenerse siempre en cuenta. En esta tesis se propone un micro-inversor derivado de la topología “forward” controlado en el límite entre los modos de conducción continuo y discontinuo (BCM por sus siglas en inglés). El transformador de la topología propuesta mantiene la misma estructura que en el convertidor “forward” clásico y la utilización de interruptores bidireccionales en el secundario permite la conexión directa del inversor a la red. Asimismo el método de control elegido permite obtener factor de potencia cercano a la unidad con una implementación sencilla. En la tesis se presenta el principio de funcionamiento y los principales aspectos del diseño del micro-inversor propuesto. Con la idea de mantener una solución sencilla y de bajo coste, se ha seleccionado un controlador analógico que está originalmente pensado para controlar un corrector del factor de potencia en el mismo modo de conducción que el micro-inversor “forward”. La tesis presenta las principales modificaciones necesarias, con especial atención a la detección del cruce por cero de la corriente (ZCD por sus siglas en inglés) y la compatibilidad del controlador con la inclusión de un algoritmo de búsqueda del punto de máxima potencia (MPPT por sus siglas en inglés). Los resultados experimentales muestran las limitaciones de la implementación elegida e identifican al transformador como el principal contribuyente a las pérdidas del micro-inversor. El principal objetivo de esta tesis es contribuir a la aplicación de técnicas de control y diseño de sistemas multifase en micro-inversores fotovoltaicos. En esta tesis se van a considerar dos configuraciones multifase diferentes aplicadas al micro-inversor “forward” propuesto. La primera consiste en una variación con conexión paralelo-serie que permite la utilización de transformadores con una relación de vueltas baja, y por tanto bien acoplados, para conseguir una ganancia de tensión adecuada con un mejor rendimiento. Esta configuración emplea el mismo control BCM cuando la potencia extraída del panel solar es máxima. Este método de control implica que la frecuencia de conmutación se incrementa considerablemente cuando la potencia decrece, lo que compromete el rendimiento. Por lo tanto y con la intención de mantener unos bueno niveles de rendimiento ponderado, el micro-inversor funciona en modo de conducción discontinuo (DCM, por sus siglas en inglés) cuando la potencia extraía del panel solar es menor que la máxima. La segunda configuración multifase considerada en esta tesis es la aplicación de la técnica de paralelo con entrelazado. Además se han considerado dos técnicas diferentes para decidir el número de fases activas: dependiendo de la potencia continua extraída del panel solar y dependiendo de la potencia instantánea demandada por el micro-inversor. La aplicación de estas técnicas es interesante en los sistemas fotovoltaicos conectados a la red eléctrica por la posibilidad que brindan de obtener un rendimiento prácticamente plano en un amplio rango de potencia. Las configuraciones con entrelazado se controlan en DCM para evitar la necesidad de un control de corriente, lo que es importante cuando el número de fases es alto. Los núcleos adecuados para todas las configuraciones multifase consideradas se seleccionan usando el producto de áreas. Una vez seleccionados los núcleos se ha realizado un diseño detallado de cada uno de los transformadores. Con la información obtenida de los diseños y los resultados de simulación, se puede analizar el impacto que el número de transformadores utilizados tiene en el tamaño y el rendimiento de las distintas configuraciones. Los resultados de este análisis, presentado en esta tesis, se utilizan posteriormente para comparar las distintas configuraciones. Muchas otras topologías se han presentado en la literatura para abordar los diferentes aspectos a considerar en los micro-inversores, que han sido presentados anteriormente. La mayoría de estas topologías utilizan un transformador de alta frecuencia para solventar el salto de tensión y evitar problemas de seguridad y de puesta a tierra. En cualquier caso, es interesante evaluar si topologías sin aislamiento galvánico son aptas para su utilización como micro-inversores. En esta tesis se presenta una revisión de inversores con capacidad de elevar tensión, que se comparan bajo las mismas especificaciones. El objetivo es proporcionar la información necesaria para valorar si estas topologías son aplicables en los módulos AC. Las principales contribuciones de esta tesis son: • La aplicación del control BCM a un convertidor “forward” para obtener un micro-inversor de una etapa sencillo y de bajo coste. • La modificación de dicho micro-inversor con conexión paralelo-series de transformadores que permite reducir la corriente de los semiconductores y una ganancia de tensión adecuada con transformadores altamente acoplados. • La aplicación de técnicas de entrelazado y decisión de apagado de fases en la puesta en paralelo del micro-inversor “forward”. • El análisis y la comparación del efecto en el tamaño y el rendimiento del incremento del número de transformadores en las diferentes configuraciones multifase. • La eliminación de las medidas y los lazos de control de corriente en las topologías multifase con la utilización del modo de conducción discontinuo y un algoritmo MPPT sin necesidad de medida de corriente. • La recopilación y comparación bajo las mismas especificaciones de topologías inversoras con capacidad de elevar tensión, que pueden ser adecuadas para la utilización como micro-inversores. Esta tesis está estructurada en seis capítulos. El capítulo 1 presenta el marco en que se desarrolla la tesis así como el alcance de la misma. En el capítulo 2 se recopilan las topologías existentes de micro-invesores con aislamiento y aquellas sin aislamiento cuya implementación en un módulo AC es factible. Asimismo se presenta la comparación entre estas topologías bajo las mismas especificaciones. El capítulo 3 se centra en el micro-inversor “forward” que se propone originalmente en esta tesis. La aplicación de las técnicas multifase se aborda en los capítulos 4 y 5, en los que se presentan los análisis en función del número de transformadores. El capítulo está orientado a la propuesta paralelo-serie mientras que la configuración con entrelazado se analiza en el capítulo 5. Por último, en el capítulo 6 se presentan las contribuciones de esta tesis y los trabajos futuros. ABSTRACT In the last decade the photovoltaic (PV) installed power increased with an average growth of 49% per year and it is expected to cover the 16% of the global electricity consumption by 2050. Most of the installed PV power corresponds to grid-connected systems, with a significant percentage of residential installations. In these PV systems, the inverter is essential since it is the responsible of transferring into the grid the extracted power from the PV modules. Several architectures have been proposed for grid-connected residential PV systems, including the AC-module technology. An AC-module consists of an inverter, also known as micro-inverter, which is attached to a PV module. The AC-module technology offers modularity, redundancy and individual MPPT of each module. In addition, the expansion of this technology will enable the possibility of economies of scale of mass market and “plug and play” for the user, thus reducing the overall cost of the installation. However, the micro-inverter must be able to provide the required voltage boost to interface a low voltage PV module to the grid while keeping an acceptable efficiency in a wide power range. Furthermore, the quality standards must be satisfied and size and lifetime of the solutions must be always considered. In this thesis a single-stage forward micro-inverter with boundary mode operation is proposed to address the micro-inverter requirements. The transformer in the proposed topology remains as in the classic forward converter and bidirectional switches in the secondary side allows direct connection to the grid. In addition the selected control strategy allows high power factor current with a simple implementation. The operation of the topology is presented and the main design issues are introduced. With the intention to propose a simple and low-cost solution, an analog controller for a PFC operated in boundary mode is utilized. The main necessary modifications are discussed, with the focus on the zero current detection (ZCD) and the compatibility of the controller with a MPPT algorithm. The experimental results show the limitations of the selected analog controller implementation and the transformer is identified as a main losses contributor. The main objective of this thesis is to contribute in the application of control and design multiphase techniques to the PV micro-inverters. Two different multiphase configurations have been applied to the forward micro-inverter proposed in this thesis. The first one consists of a parallel-series connected variation which enables the use of low turns ratio, i.e. well coupled, transformers to achieve a proper voltage boost with an improved performance. This multiphase configuration implements BCM control at maximum load however. With this control method the switching frequency increases significantly for light load operation, thus jeopardizing the efficiency. Therefore, in order to keep acceptable weighted efficiency levels, DCM operation is selected for low power conditions. The second multiphase variation considered in this thesis is the interleaved configuration with two different phase shedding techniques: depending on the DC power extracted from the PV panel, and depending on the demanded instantaneous power. The application of interleaving techniques is interesting in PV grid-connected inverters for the possibility of flat efficiency behavior in a wide power range. The interleaved variations of the proposed forward micro-inverter are operated in DCM to avoid the current loop, which is important when the number of phases is large. The adequate transformer cores for all the multiphase configurations are selected according to the area product parameter and a detailed design of each required transformer is developed. With this information and simulation results, the impact in size and efficiency of the number of transformer used can be assessed. The considered multiphase topologies are compared in this thesis according to the results of the introduced analysis. Several other topological solutions have been proposed to solve the mentioned concerns in AC-module application. The most of these solutions use a high frequency transformer to boost the voltage and avoid grounding and safety issues. However, it is of interest to assess if the non-isolated topologies are suitable for AC-module application. In this thesis a review of transformerless step-up inverters is presented. The compiled topologies are compared using a set benchmark to provide the necessary information to assess whether non-isolated topologies are suitable for AC-module application. The main contributions of this thesis are: • The application of the boundary mode control with constant off-time to a forward converter, to obtain a simple and low-cost single-stage forward micro-inverter. • A modification of the forward micro-inverter with primary-parallel secondary-series connected transformers to reduce the current stress and improve the voltage gain with highly coupled transformers. •The application of the interleaved configuration with different phase shedding strategies to the proposed forward micro-inverter. • An analysis and comparison of the influence in size and efficiency of increasing the number of transformers in the parallel-series and interleaved multiphase configurations. • Elimination of the current loop and current measurements in the multiphase topologies by adopting DCM operation and a current sensorless MPPT. • A compilation and comparison with the same specifications of suitable non-isolated step-up inverters. This thesis is organized in six chapters. In Chapter 1 the background of single-phase PV-connected systems is discussed and the scope of the thesis is defined. Chapter 2 compiles the existing solutions for isolated micro-inverters and transformerless step-up inverters suitable for AC-module application. In addition, the most convenient non-isolated inverters are compared using a defined benchmark. Chapter 3 focuses on the originally proposed single-stage forward micro-inverter. The application of multiphase techniques is addressed in Chapter 4 and Chapter 5, and the impact in different parameters of increasing the number of phases is analyzed. In Chapter 4 an original primary-parallel secondary-series variation of the forward micro-inverter is presented, while Chapter 5 focuses on the application of the interleaved configuration. Finally, Chapter 6 discusses the contributions of the thesis and the future work.

A real case of a cognitive multiplayer game: design and development of the iOS client in Swift and its cloud architecture

as tecnologías emergentes como el cloud computing y los dispositivos móviles están creando una oportunidad sin precedentes para mejorar el sistema educativo, permitiendo tanto a los educadores personalizar y mejorar la experiencia de aprendizaje, como facilitar a los estudiantes que adquieran conocimientos sin importar dónde estén. Por otra parte, a través de técnicas de gamificacion será posible promover y motivar a los estudiantes a que aprendan materias arduas haciendo que la experiencia sea más motivadora. Los juegos móviles pueden ser el camino correcto para dar soporte a esta experiencia de aprendizaje mejorada. Este proyecto integra el diseño y desarrollo de una arquitectura en la nube altamente escalable y con alto rendimiento, así como el propio cliente de iOS, para dar soporte a una nueva version de Temporis, un juego móvil multijugador orientado a reordenar eventos históricos en una línea temporal (e.j. historia, arte, deportes, entretenimiento y literatura). Temporis actualmente está disponible en Google Play. Esta memoria describe el desarrollo de la nueva versión de Temporis (Temporis v.2.0) proporcionando detalles acerca de la mejora y adaptación basados en el Temporis original. En particular se describe el nuevo backend hecho en Go sobre Google App Engine creado para soportar miles de usuarios, asó como otras características por ejemplo como conseguir enviar noticaciones push desde la propia plataforma. Por último, el cliente de iOS en Temporis v.2.0 se ha desarrollado utilizando las últimas y más relevantes tecnologías, prestando especial atención a Swift (el lenguaje de programación nuevo de Apple, que es seguro y rápido), el Paradigma Funcional Reactivo (que ayuda a construir aplicaciones altamente interactivas además de a minimizar errores) y la arquitectura VIPER (una arquitectura que sigue los principios SOLID, se centra en la separación de asuntos y favorece la reutilización de código en otras plataformas). ABSTRACT Emerging technologies such as cloud computing and mobile devices are creating an unprecedented opportunity for enhancing the educational system, letting both educators customize and improve the learning experience, and students acquire knowledge regardless of where they are. Moreover, through gamification techniques it would be possible to encourage and motivate students to learn arduous subjects by making the experience more motivating. Mobile games can be a perfect vehicle to support this enhanced learning experience. This project integrates the design and development of a highly scalable and performant cloud architecture, as well as the iOS client that uses it, in order to provide support to a new version of Temporis, a mobile multiplayer game focused on ordering time-based (e.g. history, art, sports, entertainment and literature) in a timeline that currently is available on Google Play. This work describes the development of the new Temporis version (Temporis v.2.0), providing details about improvements and details on the adaptation of the original Temporis. In particular, the new Google App Engine backend is described, which was created to support thousand of users developed in Go language are provided, in addition to other features like how to achieve push notications in this platform. Finally, the mobile iOS client developed using the latest and more relevant technologies is explained paying special attention to Swift (Apple's new programming language, that is safe and fast), the Functional Reactive Paradigm (that helps building highly interactive apps while minimizing bugs) and the VIPER architecture (a SOLID architecture that enforces separation of concerns and makes it easy to reuse code for other platforms).

Design and implementation of an adaptive dashboard and visualization interface for the dynamic optimization and control of Data Centers

Over the last few years, the Data Center market has increased exponentially and this tendency continues today. As a direct consequence of this trend, the industry is pushing the development and implementation of different new technologies that would improve the energy consumption efficiency of data centers. An adaptive dashboard would allow the user to monitor the most important parameters of a data center in real time. For that reason, monitoring companies work with IoT big data filtering tools and cloud computing systems to handle the amounts of data obtained from the sensors placed in a data center.Analyzing the market trends in this field we can affirm that the study of predictive algorithms has become an essential area for competitive IT companies. Complex algorithms are used to forecast risk situations based on historical data and warn the user in case of danger. Considering that several different users will interact with this dashboard from IT experts or maintenance staff to accounting managers, it is vital to personalize it automatically. Following that line of though, the dashboard should only show relevant metrics to the user in different formats like overlapped maps or representative graphs among others. These maps will show all the information needed in a visual and easy-to-evaluate way. To sum up, this dashboard will allow the user to visualize and control a wide range of variables. Monitoring essential factors such as average temperature, gradients or hotspots as well as energy and power consumption and savings by rack or building would allow the client to understand how his equipment is behaving, helping him to optimize the energy consumption and efficiency of the racks. It also would help him to prevent possible damages in the equipment with predictive high-tech algorithms.

Design and evaluation of a dehumidifying plaster panel for passive architecture integration

Buildings Indoor Air Quality requires a control in the Relative Humidity parameter. In passive architecture in humid climates relative humidity is even more important for human comfort and difficult to control. Therefore, nowadays, there is a research on dehumidifying systems. The present article shows an innovative dehumidifying panel composed of a plaster and Calcium Chloride salt. Laboratory tests are carried out to establish its viability as an indoor air moister regulator integrated in common plaster building interior coatings. There are two types of tests that have been carried out in two consecutive empirical phases: in the first phase, the tests of characterization of the Calcium Chloride as a desiccant are carried out; in a second phase, the dehumidifying panel as a whole is tested. Finally, both types of empirical tests show the efficiency and viability as an air moisture passive control system.

Design and characterization of α-melanotropin peptide analogs cyclized through rhenium and technetium metal coordination

α-Melanocyte stimulating hormone (α-MSH) analogs, cyclized through site-specific rhenium (Re) and technetium (Tc) metal coordination, were structurally characterized and analyzed for their abilities to bind α-MSH receptors present on melanoma cells and in tumor-bearing mice. Results from receptor-binding assays conducted with B16 F1 murine melanoma cells indicated that receptor-binding affinity was reduced to approximately 1% of its original levels after Re incorporation into the cyclic Cys4,10, d-Phe7–α-MSH4-13 analog. Structural analysis of the Re–peptide complex showed that the disulfide bond of the original peptide was replaced by thiolate–metal–thiolate cyclization. A comparison of the metal-bound and metal-free structures indicated that metal complexation dramatically altered the structure of the receptor-binding core sequence. Redesign of the metal binding site resulted in a second-generation Re–peptide complex (ReCCMSH) that displayed a receptor-binding affinity of 2.9 nM, 25-fold higher than the initial Re–α-MSH analog. Characterization of the second-generation Re–peptide complex indicated that the peptide was still cyclized through Re coordination, but the structure of the receptor-binding sequence was no longer constrained. The corresponding 99mTc- and 188ReCCMSH complexes were synthesized and shown to be stable in phosphate-buffered saline and to challenges from diethylenetriaminepentaacetic acid (DTPA) and free cysteine. In vivo, the 99mTcCCMSH complex exhibited significant tumor uptake and retention and was effective in imaging melanoma in a murine-tumor model system. Cyclization of α-MSH analogs via 99mTc and 188Re yields chemically stable and biologically active molecules with potential melanoma-imaging and therapeutic properties.

Synthetic genes for glycoprotein design and the elucidation of hydroxyproline-O-glycosylation codes

Design of hydroxyproline (Hyp)-rich glycoproteins (HRGPs) offers an approach for the structural and functional analysis of these wall components, which are broadly implicated in plant growth and development. HRGPs consist of multiple small repetitive “glycomodules” extensively O-glycosylated through the Hyp residues. The patterns of Hyp-O-glycosylation are putatively coded by the primary sequence as described by the Hyp contiguity hypothesis, which predicts contiguous Hyp residues to be attachment sites of small arabinooligosaccharides (1–5 Ara residues/Hyp); while clustered, noncontiguous Hyp residues are sites of arabinogalactan polysaccharide attachment. As a test, we designed two simple HRGPs as fusion proteins with green fluorescent protein. The first was a repetitive Ser-Hyp motif that encoded only clustered noncontiguous Hyp residues, predicted polysaccharide addition sites. The resulting glycoprotein had arabinogalactan polysaccharide O-linked to all Hyp residues. The second construct, based on the consensus sequence of a gum arabic HRGP, contained both arabinogalactan and arabinooligosaccharide addition sites and, as predicted, gave a product that contained both saccharide types. These results identify an O-glycosylation code of plants.

Nature knows best: An amazing reaction cascade is uncovered by design and discovery

The Daphniphyllum alkaloids are a group of highly complex polycyclic alkaloids. Examination of the structures if several members of this family of natural products led to a hypothesis about their mode of biosynthesis (depicted in Scheme SI). Based on this hypothetical biosynthetic pathway, a laboratory synthesis was designed that incorporated as a key transformation the novel one-pot transformation of dialdehyde 24 to pentacyclic unsaturated amine 25. This process turned out to be an exceptionally efficient way to construct the pentacyclic nucleus of the Daphniphyllum alkaloids. However, a purely fortuitous discovery, resulting from accidental use of methylamine rather than ammonia, led to a great improvement in the synthesis and suggests an even more attractive possible biosynthesis.

Singular value decomposition for genome-wide expression data processing and modeling

We describe the use of singular value decomposition in transforming genome-wide expression data from genes × arrays space to reduced diagonalized “eigengenes” × “eigenarrays” space, where the eigengenes (or eigenarrays) are unique orthonormal superpositions of the genes (or arrays). Normalizing the data by filtering out the eigengenes (and eigenarrays) that are inferred to represent noise or experimental artifacts enables meaningful comparison of the expression of different genes across different arrays in different experiments. Sorting the data according to the eigengenes and eigenarrays gives a global picture of the dynamics of gene expression, in which individual genes and arrays appear to be classified into groups of similar regulation and function, or similar cellular state and biological phenotype, respectively. After normalization and sorting, the significant eigengenes and eigenarrays can be associated with observed genome-wide effects of regulators, or with measured samples, in which these regulators are overactive or underactive, respectively.

Design and synthesis of ribonucleic guanidine: a polycationic analog of RNA.

Replacement of the phosphodiester linkages of the polyanion RNA with guanidinium linkers (represented by g) provides the polycation ribonucleic guanidine (RNG). An anticipated structure for the triple-helical hybrid [r(Up)9U.r(Ag)9A.r(Up)9U] is presented. A basic strategy for the synthesis of RNG oligomers is described. Synthetic procedures are provided for tetrameric adenosyl RNG [r(Ag)3A].

Bioenergetic scaling: metabolic design and body-size constraints in mammals.

The cytosolic phosphorylation ratio ([ATP]/[ADP][P(i)]) in the mammalian heart was found to be inversely related to body mass with an exponent of -0.30 (r = 0.999). This exponent is similar to -0.25 calculated for the mass-specific O2 consumption. The inverse of cytosolic free [ADP], the Gibbs energy of ATP hydrolysis (delta G'ATP), and the efficiency of ATP production (energy captured in forming 3 mol of ATP per cycle along the mitochondrial respiratory chain from NADH to 1/2 O2) were all found to scale with body mass with a negative exponent. On the basis of scaling of the phosphorylation ratio and free cytosolic [ADP], we propose that the myocardium and other tissues of small mammals represent a metabolic system with a higher driving potential (a higher delta G'ATP from the higher [ATP]/[ADP][P(i)]) and a higher kinetic gain [(delta V/Vmax)/delta [ADP]] where small changes in free [ADP] produce large changes in steady-state rates of O2 consumption. From the inverse relationship between mitochondrial efficiency and body size we calculate that tissues of small mammals are more efficient than those of large mammals in converting energy from the oxidation of foodstuffs to the bond energy of ATP. A higher efficiency also indicates that mitochondrial electron transport is not the major site for higher heat production in small mammals. We further propose that the lower limit of about 2 g for adult endotherm body size (bumblebee-bat, Estrucan shrew, and hummingbird) may be set by the thermodynamics of the electron transport chain. The upper limit for body size (100,000-kg adult blue whale) may relate to a minimum delta G'ATP of approximately 55 kJ/mol for a cytoplasmic phosphorylation ratio of 12,000 M-1.

Design and biological activities of L-163,191 (MK-0677): a potent, orally active growth hormone secretagogue.

A potent, orally active growth hormone (GH) secretagogue L-163,191 belonging to a recently synthesized structural class has been characterized. L-163,191 releases GH from rat pituitary cells in culture with EC50 = 1.3 +/- 0.09 nM and is mechanistically indistinguishable from the GH-releasing peptide GHRP-6 and the prototypical nonpeptide GH secretagogue L-692,429 but clearly distinguishable from the natural GH secretagogue, GH-releasing hormone. L-163,191 elevates GH in dogs after oral doses as low as 0.125 mg/kg and was shown to be specific in its release of GH without significant effect on plasma levels of aldosterone, luteinizing hormone, thyroxine, and prolactin after oral administration of 1 mg/kg. Only modest increases in cortisol were observed. Based on these properties, L-163,191 has been selected for clinical studies.

Library of libraries: approach to synthetic combinatorial library design and screening of "pharmacophore" motifs.

Construction of synthetic combinatorial libraries is described that allows for the generation of a library of motifs rather than a library of compounds. Peptide libraries based on this strategy were synthesized and screened with model targets streptavidin and anti-beta-endorphin antibody. The screens resulted in observation of expected motifs providing evidence of the effectiveness of the suggested approach.

Modified PNA design and synthesis: a novel approach using Molecular Dynamics and Metadynamics

Gli acidi peptido nucleici sono potenti strumenti utilizzati in ambito biotecnologico per colpire DNA o RNA. PNA contenenti basi o backbone modificati sono attualmente studiati per migliorarne le proprietà in ambito biologico. Bersagliare i micro RNA (anti-miR) è particolarmente interessante nell’ottica di future applicazioni terapeutiche, ma strumenti computazionali che aiutino nel design di nuovi PNA anti-miR non sono stati ancora completamente sviluppati. Le proprietà conformazionali del singolo filamento di PNA (non modificato o recante modificazioni in γ) e dei duplex PNA:RNA e i processi di re-annealing e melting sono stati studiati tramite Dinamica Molecolare e Metadinamica. L’approccio computazionale consolidato, assieme a un programma modificato per la generazione delle strutture dei duplex contenenti PNA, è stato utilizzato per il virtual screening di PNA contenenti basi modificate. Sono state inoltre sintetizzate le unità per l’ottenimento del composto più promettente e una funzione idrolitica da legare al monomero finale.

Design and synthesis of new multitarget inhibitors of dengue virus replication

Attraverso una combinazione di virtual screening/virtual library generation abbiamo identificato una nuova serie di inibitori della replicazione del virus Dengue, attivi sia su un target virale (NS5) sia su uno cellulare (Src chinasi)