bluuebunny/crossref_metadata_2025 huggingface dataset:
¿Triunfará el nuevo gnosticismo? Notas sobre biología sintética, nanotecnologías y manipulación genética en el Siglo de la Gran Prueba
Authors: Riechmann Jorge
Published: December 2016

La tentación con que seduce el utopismo tecnológico, desde los mismos orígenes de la Modernidad occidental –recordemos la isla de Bensalem de Francis Bacon en su New Atlantis–, es el completo dominio sobre la naturaleza (que incluiría la inmortalidad humana). Hoy, la mentalidad dominante en occidente –que tiende a convertirse en una cosmovisión universal– tiene mucho en común con las creencias de los antiguos gnósticos. Se piensa que la ciencia y la técnica pueden permitir a la mente humana escapar de las limitaciones que caracterizan su estado natural, liberándose del anclaje a la materia biológica y escapando de la condición humana. En definitiva, ser dioses –dioses pensados como Superingenieros Inmortales. hemos de resistir frente a esas ilusiones destructivas, lo cual significa: la racionalidad técnica tiene que realizar su propia crítica de la razón utópica (en el sentido de Franz Hinkelammert). Sin esta autocrítica será inviable un uso sensato de las técnicas y tecnologías, con su enorme potencial para la mejora de la condición humana, al tiempo que evitamos –si aún fuese posible– la deriva exterminista, nihilista y suicida de la civilización industrial.
¿Tiene futuro la vida sin pasado? El desdén de la evolución en biología sintética
Authors: Nuño De La Rosa Laura
Published: December 2016

La biología sintética mantiene una relación muy singular con la teoría evolutiva: por un lado, parte de una interpretación ingenieril de la evolución para fundar su aproximación al diseño de bioartefactos; por otro, la biología sintética aspira, en última instancia, a deshacerse de la evolución creando organismos de novo que se comporten de un modo predecible. Tras examinar las tres grandes propiedades que aparecen recurrentemente en la descripción sintética de los nuevos artefactos orgánicos (su caracterización como sistemas modulares, computables y producto del diseño), argumentaré que la biología sintética se erige sobre una concepción de los organismos y en particular de la relación de estos con su legado histórico que ha sido profundamente cuestionada por la biología evolucionista contemporánea.
La biología sintética y el imperativo de mejoramiento
Authors: Diéguez Antonio
Published: December 2016

La biología sintética encierra un enorme potencial transformador de los organismos vivos, incluyendo en un futuro quizás no muy lejano la transformación del propio genoma humano. Son claras las conexiones que pueden establecerse entre este enorme potencial transformador y las pretensiones de los partidarios del biomejoramiento humano. La construcción de genomas completamente sintéticos puede cambiar de forma definitiva e irreversible aspectos fundamentales de la vida humana, quizás hasta el punto de dar lugar a un organismo que difiera de nuestra especie como ahora nosotros podemos diferir de los grandes simios. En este artículo se discuten los principales pros y contras que ha suscitado este debate, señalando algunos de los presupuestos más problemáticos de las propuestas recientes sobre el biomejoramiento humano.
La biología sintética: cambio de juego en la propiedad intelectual
Authors: Landeweerd Laurens , Peters Timo
Published: December 2016

Se puede pensar en la biología sintética como un factor de cambio que juega un papel central en la convergencia NBIC, o BINC, contemporánea. Es decir, la convergencia de las nanociencias, las biociencias, las ciencias de la información y las ciencias cognitivas. Aunque la mayoría de los biólogos sintéticos aún no se han dado cuenta, su campo apela a nuestra imaginación al marcarse metas que hasta ahora se asociaban con la ciencia premoderna de la alquimia. En este artículo se desarrollaran algunas características de la biología sintética, así como el impacto de ésta en la noción tradicional de propiedad intelectual y en las categorías ontológicas, por un lado, del descubrimiento científico y, por otro, de la ingeniería. Es decir, la distinción entre lo natural y lo artificial, lo que crece y lo fabricado.
Pesimismo histórico y pensamiento apocalíptico en la narrativa de Roberto Bolaño
Authors: Vásquez Malva Marina
Published: December 2016

Frente a la visión apocalíptica de cuño optimista de las utopías políticas y religiosas, en las que la catástrofe social y/o natural abría el advenimiento de un nuevo mundo, en la narrativa de Bolaño asistimos a un tipo de Apocalipsis “postmoderno” (Kumar). Esto es, de pesimismo histórico, ya que su narrativa mediante la experiencia de lo absurdo muestra una crisis de historicidad que revela la barbarie del mundo contemporáneo. Dicha visión del autor es homologable a la crítica de Adorno a la metafísica falso-optimista que hizo posible a Auschiwtz.
Las revistas literarias del exilio latinoamericano en Suecia (1980-1992)
Authors: Rottenberg Débora
Published: December 2016

About thirty different magazines were published in Sweden by the Latin-American exiles, among them seven literary magazines. In this article I will present the first issue of the first published literary magazine, Hoy y aquí, appeared in May 1980. The analysis focuses in the matter of exile. I come to the conclusion that exile is represented as an oscillation between two poles, a pole of nostalgia and a pole of curiosity in the new. A fundamental function of this first issue is to encourage the readers to use language as a tool in the situation of exile, something about what Hoy y aquí becomes an example of.
Migrantes del sudoeste pampeano
Authors: Lesagra Esther Iglesias
Published: December 2016

A partir de una entrevista recopilada in situ en 1966 se evoca el quehacer, logros y proyectos de una familia migrante de origen español, de la región de Navarra, y que llegó a Argentina en la última década del siglo XIX. Se instaló en el sudoeste pampeano, en una zona de suelos salitrosos con climas alternantes entre extrema aridez y en los últimos decenios con pluviometrías desbordantes que dificultan temporalmente cualquier producción agrícola o animal. El relato oral funge como testimonio de la presencia de estos pobladores que forjaron los primeros frutos para una agricultura agroexportadora en unidades de explotación o ‘chacras’ cuyas superficies oscilaban entre 200 y 400 hectáreas. La mayoría de estos chacareros empezaron como arrendatarios de tierras que las grandes estancias de la zona les alquilaban para realizar sus cultivos. Muchos de ellos, como en el caso que ejemplificamos aquí, se convirtieron posteriormente en propietarios: la familia nuclear les había favorecido con un número de hijos varones que desarrollaron en conjunto la empresa familiar. La tercera generación de estas familias, en su mayoría, migran del espacio rural.
La construcción de la barbarie en el periódico anarquista La Batalla (1910)
Authors: Coiticher. Nora
Published: December 2016

El presente trabajo analiza la construcción de la noción de barbarie y sus usos por parte del movimiento anarquista en la ciudad de Buenos Aires en el año 1910. A partir del análisis del periódico La Batalla, publicado entre los meses de marzo y mayo, se identificaron usos y conceptualizaciones de la barbarie. En un momento de gran efervescencia política y agitación en el país, con los festejos del Centenario próximos, el periódico oficia como amalgama identitaria del movimiento en miras a la concreción de una huelga general que aspira a derrocar al gobierno conservador. En la publicación se distinguen dos grandes universos de sentidos que construyen la identidad de los bárbaros y que simultáneamente, por contraste, delinean la identidad del propio movimiento libertario: por una parte, (1) la barbarie ligada a lo local: la pampa, los indios, los animales, el desierto; del otro lado, (2) la barbarie ligada a lo extranjero, frente a la avanzada nacionalista. De esta manera el periódico construye dos lugares invertidos de la barbarie y la civilización, en clave: local-extranjero, Argentina-Europa, ciudad-campo, un universo de sentidos polarizado.
In defense of ecuaros and biodiversity in a Purhépecha community, Michoacán, Mexico
Authors: Harvey Wendy M.
Published: December 2016

This paper focuses on the importance of ecuaros (home gardens) in a Purhépecha community in the western state of Michoacán, Mexico. Despite the loss of tradition in conserving ecuaros, these systems represent a potential economic benefit for community members, as well as contributing to the preservation of biodiversity. The role of ecuaros has been understudied but offers important lessons in the conservation of culturally significant plants and food varieties. The paper presents results of ethnographic research in the Purhépecha community of San Lorenzo to examine the role of ecuaros in food production and community traditions, as well as noting their current decline. It compares the diverse uses of ecuaros with regard to the various aesthetic, economic and seasonal aspects of ecuaro production. The paper considers ecuaros as social spaces through which knowledge is passed on from mothers to daughters and notes how the exchange of ecuaro products occurs, for example, in providing gifts that help strengthen family and community ties. The paper also discusses the relationships between ecuaros and outside markets, particularly the impacts of such relationships on women’s incomes and the decline of ecuaros. The paper concludes by reflecting on the challenges facing ecuaros and the need for new policies to recognize and support this important alternative in the face of declining food sovereignty and the loss of biodiversity.
De la denuncia a la mediación: sensibilidades legales y usos del derecho en conflictos de proximidad
Authors: Godoy Mariana Inés
Published: December 2016

En este artículo, a partir de un trabajo etnográfico realizado en distintos Centros de Mediación del Ministerio Público de Salta, Argentina, describimos la manera en que la mediación penal, como instancia singular de administración de conflictos de carácter interpersonal, opone ciertas sensibilidades legales —concepciones, lenguajes y rituales— a los contornos conceptuales que ofrece la denuncia penal que le da origen. De algún modo, en esa transformación del conflicto desde una instancia a la otra, se manifiesta la naturaleza performativa de estas instituciones y del derecho en general, de modo que el sentido del conflicto y del reclamo judicial se termina de configurar en contacto con estas instituciones en las que la controversia es sucesivamente procesada. Al mismo tiempo este proceso configurativo del conflicto y su significado se revela en los usos que de estos dispositivos, tanto de la denuncia como de la instancia de mediación, tienen los propios participantes del sistema. En estos diferentes usos, y para dar legitimidad al reclamo, víctimas y ofensores activan distintas evaluaciones que tienen en cuenta los marcos de relaciones sociales más amplias en las que el conflicto se ha activado —de mayor o menor compromiso moral, de mayor o menor asimetría y distancia social— y las posibles consecuencias sobre estas relaciones que comporta el recurso y participación en estas instancias institucionales.
En orden a sus virtudes y facultades medicinales: um estudo sobre o Paraguay Natural Ilustrado de José Sánchez Labrador S. J.
Authors: Fleck Eliane Cristina Deckmann , Joaquim Mariana Alliatti , Biehl Maico
Published: December 2016

Neste artigo, apresentamos e analisamos o manuscrito Paraguay Natural Ilustrado, escrito pelo padre jesuíta José Sánchez Labrador, entre os anos de 1771-1776, durante seu exílio em Ravena, na Itália. Esta obra, que se encontra no Archivo Romanum Societatis Iesu (ARSI), se subdivide em quatro tomos – Terra, Água e Ar; Botânica; Mamíferos, Aves e Peixes; Anfíbios, Répteis e Insetos – nos quais, além das percepções sobre a natureza americana, encontramos informações relativas aos saberes e as práticas curativas adotadas pelas populações indígenas das regiões da vasta Província Jesuítica do Paraguai. Para além das virtudes terapêuticas de águas, terras, plantas, pedras bezoares e insetos descritas na obra, interessa-nos, também, demonstrar que no Paraguay Natural Ilustrado o missionário Sánchez Labrador reuniu informações procedentes tanto de suas próprias observações e das que obteve com os indígenas, quanto das que se encontravam em obras redigidas por outros jesuítas ou por cientistas leigos, com os quais estabeleceu um interessante diálogo. As evidências de produção e circulação de saberes e práticas, em especial, de Medicina e Farmácia, e, também, de apropriação dos conhecimentos dos inteligentes e sábios indígenas serão, por isso, também abordadas.
Redes de coleccionismo en Argentina. Objetos arqueológicos viajando en tren desde San Juan a Luján
Authors: Biasatti Soledad
Published: December 2016

Desde finales del siglo XIX, en la capital de la provincia de San Juan, Agustín Gnecco comienza a conformar una enorme colección que ocuparía varias habitaciones de la casa familiar. Este conjunto de objetos incluía materiales arqueológicos, archivos y documentos históricos, armas, monedas, obras de arte, elementos sacros y religiosos, entre otros. Durante la década de 1940, tras su fallecimiento, una gran parte de esta emblemática colección denominada Colección Gnecco fue cedida a lo que hoy es el Complejo Museográfico Provincial Enrique Udaondo de la ciudad de Luján, en la provincia de Buenos Aires. Las gestiones, tratativas, embalaje y acondicionamiento de las piezas para dicho traspaso estuvieron a cargo de Enrique Udaondo (director del Museo) y de Anavadro Gnecco (hijo de don Agustín) quienes intercambiaron un conjunto de cartas y documentos, conservados en el Archivo Estanislao Zeballos. A través de esos escritos, este artículo recupera los detalles y pormenores del traslado en vagones de tren desde la capital sanjuanina hacia el Museo de Luján, así como también de la inauguración del Pabellón Gnecco construido para albergar la interminable colección.Asimismo, partiendo de este caso particular, podemos reconstruir algunos procesos de conformación de colecciones y redes de intercambio de objetos que cambian sus sentidos mientras se desplazan por el territorio nacional.
Knowledge Management as an Academic Discipline
Authors: Sahoo Jyotshna , Pati Bharati , Mohanty Basudev
Published: December 2016

The very purpose of the paper is to explore, assess and to determine the elements of knowledge management as an academic discipline. At the beginning, the paper explains the concepts of knowledge, knowledge management and the characteristics of an academic discipline. A structured framework with six criteria suggested by Kuhn (1996) outlining an academic discipline has been applied to evaluate and to put forward a comprehensive understanding Knowledge Management (KM) as an academic discipline. In order to gather relevant data as per the criteria, many sources have been relied upon. Findings reveal that KM meets and supports all the laid down criteria as it has its own body of knowledge, specialized journals, academic curricula, professional societies and can be considered as a progressive academic discipline and scholarly field of study with its own tradition and history.
The Transformative Role of Institutional Repositories in Academic Knowledge Management
Authors: Sabharwal Arjun
Published: December 2016

Institutional repositories (IRs) play a significant and transformative role in academic knowledge management (KM) focused on sharing, disseminating, reusing, and preserving knowledge. The contents of IRs span faculty research, Open Access (OA) publications, electronic theses and dissertations, graduate research projects, departmental reports, institutional records (with archival finding aids), operational and research data, and digital heritage collections. Academic KM extends KM in the academic environment and focuses on the creation, sharing, dissemination, and preservation of scholarly and operational knowledge. This chapter explores the role of IRs in academic KM through an analysis of knowledge architectures, knowledge activities, and digital curation. The analysis of the Digital Curation Centre's (DCC) content lifecycle model presents KM in the context of lifecycle actions and highlights the relationship of KM, IRs, and digital curation.
Utilising ICTs for Resource Sharing Initiatives in Academic Institutions in Zimbabwe
Authors: Chisita Collence Takaingenhamo , Chinyemba Forbes
Published: December 2016

This chapter examines the use of Information and Communication Technologies and their impact on resource sharing initiatives within the context of library consortia in Zimbabwe. The writer also explores the various projects initiated to promote resource sharing. The challenges and opportunities that ICT's provide are also meticulously explored. The writer probes how ICT's have transformed academic libraries in Zimbabwe in the context of digital technology. It also seeks to find out the benefits that libraries can accrue from investing in ICT. The paper also explores the extent to which academic libraries are making use of technology to contribute to the national and global research agenda.
Thesaurus Construction and Knowledge Management in Information Centers in the Scope of Knowledge Mapping in Public Institutions
Authors: Medeni Tunc D. , Alır Gülten , İnan Erkan , Guclu Aydin Nusret , Medeni Tolga , Soylu Demet
Published: December 2016

Taxonomies, thesauri and ontologies are formal abstractions that facilitate individuals and institutions organize their knowledge as part of a controlled language, which make them essential for developing and maintaining organizational knowledge repositories and institutional memories. Ministry of Development is an expert based organization which plans and guides Turkey's development process with a macro-economic view and focuses on the coordination of policies and strategy development. This paper will present and document the first-hand experience and initial findings of BIHAP (Knowledge Mapping Research and Development Project), which has also contributed to the manual construction of the controlled vocabulary of the “development planning”. We will also share our reflections as lessons-learned and good practices from part of this project. We hope these findings and reflections will be useful for other related works for thesaurus construction and knowledge management in institutional information centers and libraries.
Knowledge Management Practices at IIMs
Authors: Chakraborty Nirmali
Published: December 2016

The study aims to highlight the existing Knowledge Management Practices at Indian Institute of Management (IIMs). The present study is limited to four IIMs from four zones of the country. For the study the select institutions were physically visited and a self-administered questionnaire was distributed among the library authority of the select institutes. Tacit knowledge management is not getting priority in comparison to explicit knowledge.
Evaluating Wireless Network Accessibility Performance via Clustering-Based Model
Authors: Wang Yan , Wu Zhensen
Published: December 2016

Using the large amount of data collected by mobile operators to evaluate network performance and capacity is a promising approach developed in the recent last years. One of the challenge is to study network accessibility, based on statistical models and analytics. In particular, one aim is to identify when mobile network becomes congested, reducing accessibility performance for users. In this paper, a new analytic methodology to evaluate wireless network accessibility performance through traffic measurements is provided. The procedure is based on ensemble clustering of network cells and on regression models. It leads to identification of zones where the accessibility remains high. Numerical results show efficiency and relevance of the suggested methodology.
Anomaly Detection in Wireless Networks
Authors: Hu Yirui
Published: December 2016

This chapter is an introduction to multi-cluster based anomaly detection analysis. Various anomalies present different behaviors in wireless networks. Not all anomalies are known to networks. Unsupervised algorithms are desirable to automatically characterize the nature of traffic behavior and detect anomalies from normal behaviors. Essentially all anomaly detection systems first learn a model of the normal patterns in training data set, and then determine the anomaly score of a given testing data point based on the deviations from the learned patterns. The initial step of learning a good model is the most crucial part in anomaly detection. Multi-cluster based analysis are valuable because they can obtain the insights of human behaviors and learn similar patterns in temporal traffic data. The anomaly threshold can be determined by quantitative analysis based on the trained model. A novel quantitative “Donut” algorithm of anomaly detection on the basis of model log-likelihood is proposed in this chapter.
Continuous-Time Markov Chain-Based Reliability Analysis for Future Cellular Networks
Authors: Farooq Hasan , Parwez Md Salik , Imran Ali
Published: December 2016

It is anticipated that the future cellular networks will consist of an ultra-dense deployment of complex heterogeneous Base Stations (BSs). Consequently, Self-Organizing Networks (SON) features are considered to be inevitable for efficient and reliable management of such a complex network. Given their unfathomable complexity, cellular networks are inherently prone to partial or complete cell outages due to hardware and/or software failures and parameter misconfiguration caused by human error, multivendor incompatibility or operational drift. Forthcoming cellular networks, vis-a-vis 5G are susceptible to even higher cell outage rates due to their higher parametric complexity and also due to potential conflicts among multiple SON functions. These realities pose a major challenge for reliable operation of future ultra-dense cellular networks in cost effective manner. In this paper, we present a stochastic analytical model to analyze the effects of arrival of faults in a cellular network. We exploit Continuous Time Markov Chain (CTMC) with exponential distribution for failures and recovery times to model the reliability behavior of a BS. We leverage the developed model and subsequent analysis to propose an adaptive fault predictive framework. The proposed fault prediction framework can adapt the CTMC model by dynamically learning from past database of failures, and hence can reduce network recovery time thereby improving its reliability. Numerical results from three case studies, representing different types of network, are evaluated to demonstrate the applicability of the proposed analytical model.
Pharmacogenomics Genome Wise Association Clinical Studies
Authors: K. Udayaraja G.
Published: December 2016

Pharmacogenomics deals with drug responses in individual based on genetic variation in genome. Based on genetic variations, drugs may produce more or less therapeutic effect, and same way in side effects also. Physicians can use information about your genetic makeup to choose those drugs and drug doses to get better therapy. Optimizing drug therapy and rational dose adjustment with respect to genetic makeup will maximize drug efficacy and minimal adverse effects. This broken traditional ‘trial and error' method of ‘one drug fits all', and ‘one dose fits all' which contributing to 25–50% of drug toxicity or treatment failures. This will contribute to improve the ways in which existing drugs are used, genomic research will lead to drug development to produce new drugs that are highly effective without serious side effects. This approach to bring personalized medicine more practice and drug combinations are optimized for each individual' genetic makeup.
Normalizing Cross-Border Healthcare in Europe via New E-Prescription Paradigms
Authors: Berler Alexander , Apostolakis Ioannis
Published: December 2016

The 21st century started with some significant efforts globally in the e-health sector. This was mainly pushed as a generic strategy from many nations and international organizations in order to cope with issues such as ageing population, demographic shift, social security limitations, and financial instability. A second reason was the introduction of new technologies such as cloud computing, Web interoperability standards, mobile health, and social media that are steadily changing the way healthcare has been seen in the last decades. In addition to that, globalization, commuting, immigration, and increased mobility raised the issue of cross-border healthcare and the right to access normalized healthcare services anywhere, anytime. In that context, the authors analyze the technological offerings and result of the epSOS (European Patient Smart Open Services) framework and how it has affected strategic decisions in electronic prescription in Greece, thus creating a new useful e-health national application. They prove that by rethinking healthcare, reusing established standards such as HL7 CDA (Health Level Seven Clinical Document Architecture) and IHE (Integrating the Healthcare Enterprise) profiles, it is possible to propose a new innovative system that is in fact based upon new technological propositions such as REST (Representational State Transfer) architecture and cloud computing.
Web 2.0 Tools in Biomedical and Pharmaceutical Education
Authors: Jesus Ângelo , Gomes Maria João
Published: December 2016

Web 2.0 technologies are being rapidly integrated in higher education, which dramatically influences the ways learners approach and use information. Knowledge transfer has evolved into a two-way process. Users no longer simply consume and download information from the web; they create and interact with it. Several theoretical works were developed in order to discuss the possibilities of integration of Web 2.0 tools in Pharmacy, Medicine, Allied Health, Nursing and many other Biomedical Areas. Other works have started gathering qualitative and quantitative evidence of the importance of Web 2.0 tools in the learning process. By performing this integrative review, this paper will provide an overview of what is being done in biomedical and pharmaceutical education, and elaborate some of the potential opportunities and challenges that these applications present. With this updated review we hope to give our contribution to consolidate research in this promising area.
Open Access Initiatives in Medical Biology
Authors: Chakravarty Rupak
Published: December 2016

Open Access (OA) is reshaping the world by redefining the scholarly communication methods with focus on building a knowledge society. It has the power to democratize the knowledge by removing hurdles from free access to scholarly works while encouraging knowledge sharing. Institutional Repositories (IRs) play a vital role in the OA movement by facilitating the Green Route to Open Access. In India, some elite educational and research institutes such as the Indian Statistical Institute, some CSIR Laboratories, IITs, and IIMs have taken significant initiatives in building IRs. In addition to theses, a few Universities have also taken the initiative and now have their own IRs as their proudest possession. However, many Indian Irs, once functional are in bad shape and a few have been closed. This paper deals with IR initiatives in the discipline of Medicine and Biology including. The paper discusses their scope, collection strength, growth rate and their current status.
Cancer Drug Delivery
Authors: Patel Jai N. , Villadolid Jeryl
Published: December 2016

Advancements in cancer drug delivery have led to the development of personalized oncology care through molecularly-driven targeted therapies. Understanding molecular and cellular mechanisms which drive tumor progression and resistance is critical in managing new treatment strategies which have shifted from empiric to biomarker-directed therapy selection. Biomarker-directed therapies have improved clinical outcomes in multiple malignancies as monotherapy and in combination with other treatment modalities, however the changing scope of treatment options presents new opportunities and challenges for research. Furthermore, pharmacogenetics may provide a rationale method of personalizing anticancer drug dosing and supportive care management for oncology patients. This chapter reviews biomarker classifications and pharmacogenetics in anticancer therapy and supportive care. Examples of biomarker-directed therapies and clinical assays, in addition to future directions of molecular profiling in oncology therapy management are discussed.
CNS Targeted Nanoparticle Drug Delivery
Authors: Chopra Dimple Sethi
Published: December 2016

The idea of formulating brain permeable nanoparticles stems from the need to treat various neurological disorders like Parkinson's disease, Alzheimer's disease, schizophrenia, depression and brain tumors. Neuropeptides, antibiotics, anticancer drugs and many CNS active drugs cannot cross blood brain barrier (BBB). Studies have revealed that when these drugs are loaded on to nanoparticles they not only cross BBB, but also exhibit decreased side effects. The drug can be dissolved, dispersed, encapsulated inside the nanoparticle or attached on to surface of nanoparticles. In 1995, dalargin was the first drug to be delivered across blood brain barrier (BBB) using polysorbate 80 coated nanoparticles. The size of nanoparticles is usually between 10-1000nm. For crossing BBB it should be less than 300 nm.
Bioinformatics and Its Therapeutic Applications
Authors: Gupta Sarvesh Kumar , Chaudhary Kamal Kumar , Mishra Nidhi
Published: December 2016

Bioinformatics has emerged as a major element in contemporary biomedical and pharmaceutical region. Bioinformatics deals with growth in biological data and has led to development of many databases. Bioinformatics deals with collection of data that is relevant clinically and these days separate term clinical information has come up. Data mimics are another field which is gaining importance. This chapter shall deal with introduction of bioinformatics and its applications in medicine and health care.
Sedation and Analgesia
Authors: Brand Jordan
Published: December 2016

Patients in the cardiothoracic intensive care unit (CTICU) are subject to numerous physical and mental stresses. While most of these cannot be completely eliminated, intensivists have many tools in their armamentarium to alleviate patients' pain and suffering. This chapter will consider the importance of analgesia and sedation in the CTICU and the relevant consequences of over- or under-treatment. We will examine the tools available for monitoring and titrating analgesia and sedation in critically ill patients. The major classes of medications available will be reviewed, with particular attention to their clinical effects, metabolism and excretion, and hemodynamic characteristics. Lastly, experimental evidence will be assessed regarding the best strategies for treatment of pain and agitation in the CTICU, including use of non-pharmacologic adjuvants.
Phytonutrients of Nutraceutical Importance
Authors: Dias-Souza Marcus Vinícius , Martins dos Santos Renan
Published: December 2016

Phytotherapy re-emerged in the latest years as a healing system accepted and spread worldwide, and different molecules have been investigated due to their benefits to health. Nutraceutical formulations, which allow the intake of phytonutrients (generally in low levels in plant food) in concentrations that are enough to achieve the desired outcomes, represent feasible alternatives to improve general health and to prevent and treat varied diseases. Notwithstanding the incompleteness of an evidence-based clinical use of nutraceuticals, many questions remain unanswered regarding their global effects in humans and animals. Thus, the aim of this chapter is to provide recent evidence on chemical and pharmacological features of the main phytonutrients explored in nutraceutical formulations, focusing antimicrobial, antioxidant and antiproliferative potentials. Also, some insights on drug-phytonutrients interactions will be discussed.
Molecular-Docking-Based Drug Design and Discovery
Authors: Kim Soo-Kyung , Goddard III William A.
Published: December 2016

Currently 30-50% of drug targets are G Protein-Coupled Receptors (GPCRs). However, the clinical useful drugs for targeting GPCR have been limited by the lack of subtype selectivity or efficacy, leading to undesirable side effects. To develop subtype-selective GPCR ligands with desired molecular properties, better understanding is needed of the pharmacophore elements and of the binding mechanism required for subtype selectivity. To illustrate these issues, we describe here three successful applications to understand the binding mechanism associated with subtype selectivity: 5-HT2B (5-Hydroxytryptamine, 5-HT) serotonin receptor (HT2BR), H3 histamine receptor (H3HR) and A3 adenosine receptor (A3AR). The understanding of structure-function relationships among individual types and subtypes of GPCRs gained from such computational predictions combined with experimental validation and testing is expected the development of new highly selective and effective ligands to address such diseases while minimizing side-effects.
Molecular-Docking-Based Anti-Allergic Drug Design
Authors: Basu Anamika , Basak Piyali , Sarkar Anasua
Published: December 2016

Allergens are foreign proteins that when come in contact of part(s) of human body stimulate the production of immunoglobulin types of proteins (antibodies). These allergens react with antibodies (immunoglobulin type E or IgE) produces allergic reactions, also known as immediate-type hypersensitivity reactions. As much as 20% of the general population may be affected by grass pollen as a major cause of allergic disease. EXPB class of proteins are known in the immunological literature as group-1 grass pollen allergens Molecular docking method can be used to identify the predicated the interaction of pollen allergen EXPB1 (Zea m 1), a beta-expansin and group-1 pollen allergen from maize with IgE molecules of human. The World Health Organization recognised allergen immunotherapy, as therapeutics for allergic diseases. RNA Interference (RNAi) is a biological process in which RNA molecules e.g. Small Interfering RNAs (siRNAs) inhibit gene expression, by cleavage and destruction of specific mRNA molecules. Use of Small Interfering RNA (siRNA) is a novel method in the induction of RNA Interference (RNAi), which is a potent method for therapeutics of allergic reactions. Due to various effects of STAT 6 proteins during hypersensitivity reactions caused by pollen allergens, mRNA of STAT6 gene is selected as target gene for allergy therapeutics via Post-Transcriptional Gene Silencing (PTGS). Using molecular docking study a specific sense siRNA is identified as anti allergic drug to treat allergic asthma during immediate type of hypersensitivity reaction, caused by Zea m 1 pollen allergen.
Different Types of Molecular Docking Based on Variations of Interacting Molecules
Authors: Das Amit , Bhattacharya Simanti
Published: December 2016

Molecular docking plays an important role in drug discovery research by facilitating target identification, target validation, virtual screening for lead identification and lead optimization. Depending upon the nature of the disease of interest, targets can be either protein or DNA while drugs are mostly organic small molecules. Different types of molecular docking techniques like protein-protein or protein-DNA or protein-small molecule or DNA-small molecule are employed for achieving the above mentioned objectives. This chapter provides a clear idea of the position of molecular docking in drug discovery with detailed discussion on different types of molecular docking based on the varieties of interacting partners. Subsequently the authors provide a detailed list of tools that can be used for docking in drug discovery and discus some examples of molecular docking in drug discovery before concluding with a remark on future areas of improvement in molecular docking related to drug discovery.
The Comparison of Docking Search Algorithms and Scoring Functions
Authors: Novič Marjana , Tibaut Tjaša , Anderluh Marko , Borišek Jure , Tomašič Tihomir
Published: December 2016

This chapter, composed of two parts, firstly provides molecular docking overview and secondly two molecular docking case studies are described. In overview, basic information about molecular docking are presented such as description of search algorithms and scoring functions applied in various docking programs. Brief description of methods utilized in some of the most popular docking programs also applied in our experimental work is provided. AutoDock, CDOCKER, GOLD, FlexX and FRED were used for docking studies of the DC-SIGN protein, while GOLD was further used for docking studies of cathepsin K protein. Methods and results of our studies with their contribution to science and medicine are presented. Content of the chapter is therefore appropriate for public of Medicinal and Organic Chemistry as an overview of docking studies, and also for Computational Chemists at the beginning of their work as the introduction to application of molecular docking programs.
Application of Docking Methodologies in QSAR-Based Studies
Authors: Deeb Omar , Martínez-Pachecho Heidy , Ramírez-Galicia Guillermo , Garduño-Juárez Ramón
Published: December 2016

The computational strategies permeate all aspects of drug discovery such as virtual screening techniques. Virtual screening can be classified into ligand based and structure based methods. The ligand based method such as Quantitative Structure Activity Relationship (QSAR) is used when a set of active ligand compounds is recognized and slight or no structural information is available for the receptors. In structure based drug design, the most widespread method is molecular docking. It is widely accepted that drug activity is obtained through the molecular binding of one ligand to receptor. In their binding conformations, the molecules exhibit geometric and chemical complementarity, both of which are essential for successful drug activity. The molecular docking approach can be used to model the interaction between a small drug molecule and a protein, which allow us to characterize the performance of small molecules in the binding site of target proteins as well as to clarify fundamental biochemical processes.
QSAR Studies on Bacterial Efflux Pump Inhibitors
Authors: Thai Khac-Minh , Do Trong-Nhat , Nguyen Thuy-Viet-Phuong , Nguyen Duc-Khanh-Tho. , Tran Thanh-Dao
Published: December 2016

Antimicrobial drug resistance occurs when bacteria undergo certain modifications to eliminate the effectiveness of drugs, chemicals, or other agents designed to cure infections. To date, the burden of resistance has remained one of the major clinical concerns as it renders prolonged and complicated treatments, thereby increasing the medical costs with lengthier hospital stays. Of complex causes for bacterial resistance, there has been increasing evidence that proved the significant role of efflux pumps in antibiotic resistance. Coadministration of Efflux Pump Inhibitors (EPIs) with antibiotics has been considered one of the promising ways not only to improve the efficacy but also to extend the clinical utility of existing antibiotics. This chapter begins with outlining current knowledge about bacterial efflux pumps and drug designs applied in identification of their modulating compounds. Following, the chapter addresses and provides a discussion on Quantitative Structure-Activity Relationship (QSAR) analyses in search of novel and potent efflux pump inhibitors.
QSPR/QSAR Analyses by Means of the CORAL Software
Authors: Toropov Andrey A. , Toropova Alla P. , Benfenati Emilio , Nicolotti Orazio , Carotti Angelo , Nesmerak Karel , Veselinović Aleksandar M. , Veselinović Jovana B. , Duchowicz Pablo R. , Bacelo Daniel , Castro Eduardo A. , Rasulev Bakhtiyor F. , Leszczynska Danuta , Leszczynski Jerzy
Published: December 2016

In this chapter, the methodology of building up quantitative structure—property/activity relationships (QSPRs/QSARs)—by means of the CORAL software is described. The Monte Carlo method is the basis of this approach. Simplified Molecular Input-Line Entry System (SMILES) is used as the representation of the molecular structure. The conversion of SMILES into the molecular graph is available for QSPR/QSAR analysis using the CORAL software. The model for an endpoint is a mathematical function of the correlation weights for various features of the molecular structure. Hybrid models that are based on features extracted from both SMILES and a graph also can be built up by the CORAL software. The conceptually new ideas collected and revealed through the CORAL software are: (1) any QSPR/QSAR model is a random event; and (2) optimal descriptor can be a translator of eclectic information into an endpoint prediction.
2D and 3D QSAR Studies on a Series of Antichagasic Fenarimol Derivatives
Authors: de Souza Anacleto S. , Ferreira Leonardo G. , Andricopulo Adriano D.
Published: December 2016

Chagas disease is one of the most important neglected tropical diseases. Endemic in Latin America, the disease is a global public health problem, affecting several countries in North America, Europe, Asia and Oceania. The disease affects around 8-10 million people worldwide and the limited treatments available present low efficacy and severe side effects, highlighting the urgent need for new therapeutic options. In this work, the authors developed QSAR models for a series of fenarimol derivatives exhibiting anti-T. cruzi activity. The models were constructed using the Hologram QSAR (HQSAR), Comparative Molecular Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA) methods. The QSAR models presented substantial predictive ability for a series of test set compounds (HQSAR, r2pred = 0.66; CoMFA, r2pred = 0.82; and CoMSIA, r2pred = 0.76), and were valuable to identify key structural features related to the observed trypanocidal activity. The results reported herein are useful for the design of novel derivatives having improved antichagasic properties.
Molecular Dynamics Simulations for Biological Systems
Authors: Priya Prerna , Kesheri Minu , Sinha Rajeshwar P. , Kanchan Swarna
Published: December 2016

Molecular dynamics simulation is an important tool to capture the dynamicity of biological molecule and the atomistic insights. These insights are helpful to explore biological functions. Molecular dynamics simulation from femto seconds to milli seconds scale give a large ensemble of conformations that can reveal many biological mysteries. The main focus of the chapter is to throw light on theories, requirement of molecular dynamics for biological studies and application of molecular dynamics simulations. Molecular dynamics simulations are widely used to study protein-protein interaction, protein-ligand docking, effects of mutation on interactions, protein folding and flexibility of the biological molecules. This chapter also deals with various methods/algorithms of protein tertiary structure prediction, their strengths and weaknesses.
Protein-Protein Interactions (PPIs) as an Alternative to Targeting the ATP Binding Site of Kinase
Authors: Sarvagalla Sailu , Coumar Mohane Selvaraj
Published: December 2016

Most of the developed kinase inhibitor drugs are ATP competitive and suffer from drawbacks such as off-target kinase activity, development of resistance due to mutation in the ATP binding pocket and unfavorable intellectual property situations. Besides the ATP binding pocket, protein kinases have binding sites that are involved in Protein-Protein Interactions (PPIs); these PPIs directly or indirectly regulate the protein kinase activity. Of recent, small molecule inhibitors of PPIs are emerging as an alternative to ATP competitive agents. Rational design of inhibitors for kinase PPIs could be carried out using molecular modeling techniques. In silico tools available for the prediction of hot spot residues and cavities at the PPI sites and the means to utilize this information for the identification of inhibitors are discussed. Moreover, in silico studies to target the Aurora B-INCENP PPI sites are discussed in context. Overall, this chapter provides detailed in silico strategies that are available to the researchers for carrying out structure-based drug design of PPI inhibitors.
Rational Drug Design Rational Drug Design
Authors: Barakat Khaled H. , Houghton Michael , Tyrrel D. Lorne , Tuszynski Jack A.
Published: December 2016

For the past three decades rationale drug design (RDD) has been developing as an innovative, rapid and successful way to discover new drug candidates. Many strategies have been followed and several targets with diverse structures and different biological roles have been investigated. Despite the variety of computational tools available, one can broadly divide them into two major classes that can be adopted either separately or in combination. The first class involves structure-based drug design, when the target's 3-dimensional structure is available or it can be computationally generated using homology modeling. On the other hand, when only a set of active molecules is available, and the structure of the target is unknown, ligand-based drug design tools are usually used. This review describes some recent advances in rational drug design, summarizes a number of their practical applications, and discusses both the advantages and shortcomings of the various techniques used.
Implementation of Nanoparticles in Cancer Therapy
Authors: Bayir Ece , Bilgi Eyup , Urkmez Aylin Sendemir
Published: December 2016

Cancer is a wide group of diseases and generally characterized by uncontrolled proliferation of cells whose metabolic activities are disrupted. Conventionally, chemotherapy, radiotherapy, and surgery are used in the treatment of cancer. However, in theory, even a single cancer cell may trigger recurrence. Therefore, these treatments cannot provide high survival rate for deadly types. Identification of alternative methods in treatment of cancers is inevitable because of adverse effects of conventional methods. In the last few decades, nanotechnology developed by scientists working in different disciplines—physics, chemistry, and biology—offers great opportunities. It is providing elimination of both circulating tumor cells and solid cancer cells by targeting cancer cells. In this chapter, inadequate parts of conventional treatment methods, nanoparticle types used in new treatment methods of cancer, and targeting methods of nanoparticles are summarized; furthermore, recommendations of future are provided.
QSAR-Based Studies of Nanomaterials in the Environment
Authors: Kleandrova Valeria V. , Luan Feng , Speck-Planche Alejandro , Cordeiro M. Natália D. S.
Published: December 2016

Nanotechnology is a newly emerging field, posing substantial impacts on society, economy, and the environment. In recent years, the development of nanotechnology has led to the design and large-scale production of many new materials and devices with a vast range of applications. However, along with the benefits, the use of nanomaterials raises many questions and generates concerns due to the possible health-risks and environmental impacts. This chapter provides an overview of the Quantitative Structure-Activity Relationships (QSAR) studies performed so far towards predicting nanoparticles' environmental toxicity. Recent progresses on the application of these modeling studies are additionally pointed out. Special emphasis is given to the setup of a QSAR perturbation-based model for the assessment of ecotoxic effects of nanoparticles in diverse conditions. Finally, ongoing challenges that may lead to new and exciting directions for QSAR modeling are discussed.