Helical structures: The geometry of protein helices and nanotubes

In nature, helical structures arise when identical structural subunits combine sequentially, the orientational and translational relation between each unit and its predecessor remaining constant. A helical structure is thus generated by the repeated action of a screw transformation acting on a subunit. A plane hexagonal lattice wrapped round a cylinder provides a useful starting point for describing the helical conformations of protein molecules, for investigating the geometrical properties of carbon nanotubes, and for certain types of dense packings of equal spheres.

Energy-insensitive Guidance of Solid Motor Propelled Long Range Flight Vehicles Using MPSP and Dynamic Inversion

A energy-insensitive explicit guidance design is proposed in this paper by appending newlydeveloped nonlinear model predictive static programming technique with dynamic inversion, which render a closed form solution of the necessary guidance command update. The closed form nature of the proposed optimal guidance scheme suppressed the computational difficulties, and facilitate realtime solution. The guidance law is successfully verified in a solid motor propelled long range flight vehicle, for which developing an effective guidance law is more difficult as compared to a liquid engine propelled vehicle, mainly because of the absence of thrust cutoff facility. The scheme guides the vehicle appropriately so that it completes the mission within a tight error bound assuming that the starting point of the second stage to be a deterministic point beyond the atmosphere. The simulation results demonstrate its ability to intercept the target, even with an uncertainty of greater than 10% in the burnout time

A Hybrid Energy-insensitive Explicit Guidance Scheme for Long Range Flight Vehicles with Solid Motors

Combining the newly developed nonlinear model predictive static programming technique with null range direction concept, a novel explicit energy-insensitive guidance design method is presented in this paper for long range flight vehicles, which leads to a closed form solution of the necessary guidance command update. Owing to the closed form nature, it does not lead to computational difficulties and the proposed optimal guidance algorithm can be implemented online. The guidance law is verified in a solid motor propelled long range flight vehicle, for which coming up with an effective guidance law is more difficult as compared to a liquid engine propelled vehicle (mainly because of the absence of thrust cutoff facility). Assuming the starting point of the second stage to be a deterministic point beyond the atmosphere, the scheme guides the vehicle properly so that it completes the mission within a tight error bound. The simulation results demonstrate its ability to intercept the target, even with an uncertainty of greater than 10% in burnout time.

Structure of tandem and its implication for bifunctional intercalation into dna

Quinoxaline antibiotics (Fig. 1a, b) form a useful group of compounds for the study of drug–nucleic acid interactions1,2. They consist of a cross-bridged cyclic octadepsipeptide, variously modified, bearing two quinoxaline chromophores. These antibiotics intercalate bifunctionally into DNA2,3 probably via the narrow groove, forming a complex in which, most probably, two base pairs are sandwiched between the chromophores4,5. Depending on the nature of their sulphur-containing cross-bridge and modifications to their amino acid side chains, they display characteristic patterns of nucleotide sequence selectivity when binding to DNAs of different base composition and to synthetic polydeoxynucleotides4,6,7. This specificity has been tentatively ascribed to specific hydrogen-bonding interactions between functional groups in the DNA and complementary moieties on the peptide ring2,4,5. Variations in selectivity have been attributed both to changes in the conformation of the peptide backbone6 and no modifications of the cross-bridge7. These suggestions were made, however, in the absence of firm knowledge about the three-dimensional structure and conformation of the antibiotic molecules. We now report the X-ray structure analysis of the synthetic analogue of the antibiotic triostin A, TANDEM (des-N-tetramethyl triostin A) (Fig. 1c), which binds preferentially to alternating adenine-thymine sequences7. The X-ray structure provides a starting point for exploring the origin of this specificity and suggests possible models for the binding of other members of the quinoxaline series.

Cascaded walks in protein sequence space: use of artificial sequences in remote homology detection between natural proteins

Over the past two decades, many ingenious efforts have been made in protein remote homology detection. Because homologous proteins often diversify extensively in sequence, it is challenging to demonstrate such relatedness through entirely sequence-driven searches. Here, we describe a computational method for the generation of `protein-like' sequences that serves to bridge gaps in protein sequence space. Sequence profile information, as embodied in a position-specific scoring matrix of multiply aligned sequences of bona fide family members, serves as the starting point in this algorithm. The observed amino acid propensity and the selection of a random number dictate the selection of a residue for each position in the sequence. In a systematic manner, and by applying a `roulette-wheel' selection approach at each position, we generate parent family-like sequences and thus facilitate an enlargement of sequence space around the family. When generated for a large number of families, we demonstrate that they expand the utility of natural intermediately related sequences in linking distant proteins. In 91% of the assessed examples, inclusion of designed sequences improved fold coverage by 5-10% over searches made in their absence. Furthermore, with several examples from proteins adopting folds such as TIM, globin, lipocalin and others, we demonstrate that the success of including designed sequences in a database positively sensitized methods such as PSI-BLAST and Cascade PSI-BLAST and is a promising opportunity for enormously improved remote homology recognition using sequence information alone.

Measurement Based Impromptu Deployment of a Multi-Hop Wireless Relay Network

We study the problem of optimal sequential (''as-you-go'') deployment of wireless relay nodes, as a person walks along a line of random length (with a known distribution). The objective is to create an impromptu multihop wireless network for connecting a packet source to be placed at the end of the line with a sink node located at the starting point, to operate in the light traffic regime. In walking from the sink towards the source, at every step, measurements yield the transmit powers required to establish links to one or more previously placed nodes. Based on these measurements, at every step, a decision is made to place a relay node, the overall system objective being to minimize a linear combination of the expected sum power (or the expected maximum power) required to deliver a packet from the source to the sink node and the expected number of relay nodes deployed. For each of these two objectives, two different relay selection strategies are considered: (i) each relay communicates with the sink via its immediate previous relay, (ii) the communication path can skip some of the deployed relays. With appropriate modeling assumptions, we formulate each of these problems as a Markov decision process (MDP). We provide the optimal policy structures for all these cases, and provide illustrations of the policies and their performance, via numerical results, for some typical parameters.

Optimal trajectory planning for path convergence in three-dimensional space

This article addresses the problem of determining the shortest path that connects a given initial configuration (position, heading angle, and flight path angle) to a given rectilinear or a circular path in three-dimensional space for a constant speed and turn-rate constrained aerial vehicle. The final path is assumed to be located relatively far from the starting point. Due to its simplicity and low computational requirements the algorithm can be implemented on a fixed-wing type unmanned air vehicle in real time in missions where the final path may change dynamically. As wind has a very significant effect on the flight of small aerial vehicles, the method of optimal path planning is extended to meet the same objective in the presence of wind comparable to the speed of the aerial vehicles. But, if the path to be followed is closer to the initial point, an off-line method based on multiple shooting, in combination with a direct transcription technique, is used to obtain the optimal solution. Optimal paths are generated for a variety of cases to show the efficiency of the algorithm. Simulations are presented to demonstrate tracking results using a 6-degrees-of-freedom model of an unmanned air vehicle.

Improved quasiparticle wave functions and mean field for G(0)W(0) calculations: Initialization with the COHSEX operator

The GW approximation to the electron self-energy has become a standard method for ab initio calculation of excited-state properties of condensed-matter systems. In many calculations, the G W self-energy operator, E, is taken to be diagonal in the density functional theory (DFT) Kohn-Sham basis within the G0 W0 scheme. However, there are known situations in which this diagonal Go Wo approximation starting from DFT is inadequate. We present two schemes to resolve such problems. The first, which we called sc-COHSEX-PG W, involves construction of an improved mean field using the static limit of GW, known as COHSEX (Coulomb hole and screened exchange), which is significantly simpler to treat than GW W. In this scheme, frequency-dependent self energy E(N), is constructed and taken to be diagonal in the COHSEX orbitals after the system is solved self-consistently within this formalism. The second method is called off diagonal-COHSEX G W (od-COHSEX-PG W). In this method, one does not self-consistently change the mean-field starting point but diagonalizes the COHSEX Hamiltonian within the Kohn-Sham basis to obtain quasiparticle wave functions and uses the resulting orbitals to construct the G W E in the diagonal form. We apply both methods to a molecular system, silane, and to two bulk systems, Si and Ge under pressure. For silane, both methods give good quasiparticle wave functions and energies. Both methods give good band gaps for bulk silicon and maintain good agreement with experiment. Further, the sc-COHSEX-PGW method solves the qualitatively incorrect DFT mean-field starting point (having a band overlap) in bulk Ge under pressure.

Optimization of bus allocation to depots by minimizing dead kilometers

In metropolitan cities, public transportation service plays a vital role in mobility of people, and it has to introduce new routes more frequently due to the fast development of the city in terms of population growth and city size. Whenever there is introduction of new route or increase in frequency of buses, the nonrevenue kilometers covered by the buses increases as depot and route starting/ending points are at different places. This non-revenue kilometers or dead kilometers depends on the distance between depot and route starting point/ending point. The dead kilometers not only results in revenue loss but also results in an increase in the operating cost because of the extra kilometers covered by buses. Reduction of dead kilometers is necessary for the economic growth of the public transportation system. Therefore, in this study, the attention is focused on minimizing dead kilometers by optimizing allocation of buses to depots depending upon the shortest distance between depot and route starting/ending points. We consider also depot capacity and time period of operation during allocation of buses to ensure parking safety and proper maintenance of buses. Mathematical model is developed considering the aforementioned parameters, which is a mixed integer program, and applied to Bangalore Metropolitan Transport Corporation (BMTC) routes operating presently in order to obtain optimal bus allocation to depots. Database for dead kilometers of depots in BMTC for all the schedules are generated using the Form-4 (trip sheet) of each schedule to analyze depot-wise and division-wise dead kilometers. This study also suggests alternative locations where depots can be located to reduce dead kilometers. Copyright (C) 2015 John Wiley & Sons, Ltd.

Framework for morphometric classification of cells in imaging flow cytometry

Imaging flow cytometry is an emerging technology that combines the statistical power of flow cytometry with spatial and quantitative morphology of digital microscopy. It allows high-throughput imaging of cells with good spatial resolution, while they are in flow. This paper proposes a general framework for the processing/classification of cells imaged using imaging flow cytometer. Each cell is localized by finding an accurate cell contour. Then, features reflecting cell size, circularity and complexity are extracted for the classification using SVM. Unlike the conventional iterative, semi-automatic segmentation algorithms such as active contour, we propose a noniterative, fully automatic graph-based cell localization. In order to evaluate the performance of the proposed framework, we have successfully classified unstained label-free leukaemia cell-lines MOLT, K562 and HL60 from video streams captured using custom fabricated cost-effective microfluidics-based imaging flow cytometer. The proposed system is a significant development in the direction of building a cost-effective cell analysis platform that would facilitate affordable mass screening camps looking cellular morphology for disease diagnosis. Lay description In this article, we propose a novel framework for processing the raw data generated using microfluidics based imaging flow cytometers. Microfluidics microscopy or microfluidics based imaging flow cytometry (mIFC) is a recent microscopy paradigm, that combines the statistical power of flow cytometry with spatial and quantitative morphology of digital microscopy, which allows us imaging cells while they are in flow. In comparison to the conventional slide-based imaging systems, mIFC is a nascent technology enabling high throughput imaging of cells and is yet to take the form of a clinical diagnostic tool. The proposed framework process the raw data generated by the mIFC systems. The framework incorporates several steps: beginning from pre-processing of the raw video frames to enhance the contents of the cell, localising the cell by a novel, fully automatic, non-iterative graph based algorithm, extraction of different quantitative morphological parameters and subsequent classification of cells. In order to evaluate the performance of the proposed framework, we have successfully classified unstained label-free leukaemia cell-lines MOLT, K562 and HL60 from video streams captured using cost-effective microfluidics based imaging flow cytometer. The cell lines of HL60, K562 and MOLT were obtained from ATCC (American Type Culture Collection) and are separately cultured in the lab. Thus, each culture contains cells from its own category alone and thereby provides the ground truth. Each cell is localised by finding a closed cell contour by defining a directed, weighted graph from the Canny edge images of the cell such that the closed contour lies along the shortest weighted path surrounding the centroid of the cell from a starting point on a good curve segment to an immediate endpoint. Once the cell is localised, morphological features reflecting size, shape and complexity of the cells are extracted and used to develop a support vector machine based classification system. We could classify the cell-lines with good accuracy and the results were quite consistent across different cross validation experiments. We hope that imaging flow cytometers equipped with the proposed framework for image processing would enable cost-effective, automated and reliable disease screening in over-loaded facilities, which cannot afford to hire skilled personnel in large numbers. Such platforms would potentially facilitate screening camps in low income group countries; thereby transforming the current health care paradigms by enabling rapid, automated diagnosis for diseases like cancer.

Corporeidad, herencia y educación : la representación de la infancia en tres poemas castellanos del siglo XIII

Resumen: Tomando como punto de partida el gesto inaugural de Philippe Ariès en lo concerniente a los estudios sobre la niñez, el presente artículo se propone abordar las formas de representación de la infancia presentes en los tres poemas que componen el Ms. K-III-4 de la Biblioteca de San Lorenzo de El Escorial (Libro de Apolonio, Vida de Santa María Egipciaca, Libre dels tres reys d’Orient), buscando así, delinearle un espacio de comprensión a los modos de ser niño que se dejan leer en este códice. Modos de ser que, no sólo permiten rectifi car las afi rmaciones fundantes del historiador francés, sino que a su vez, devienen signo del imaginario y los saberes de un siglo XIII propenso a la condición terrena del hombre.

Alcance y límites de la potencia humana

Resumen: La visión sobre el modo de ser del hombre condiciona, de un modo u otro, su actuar en el mundo. En general, es éste un punto de partida compartido por las distintas corrientes filosóficas al momento de dar respuesta al ejercicio del potencial humano, si bien pueden distanciarse drásticamente al sustentar el pasaje ser-obrar. En este sentido, entre las formas más alejadas entre sí cabe reparar, por una parte, en una concepción que recurre a la justificación de una metafísica realista que reconoce la dialéctica de la participación y, por otra, en una concepción que se declara anti-metafísica al disolver el ser en su negación, en la nada, para exaltar la voluntad de poder del hombre. Si bien este trabajo se desarrollará en el marco de la primera concepción, desde el estudio de la causación del acto de ser en Tomás de Aquino, habré de recurrir a la segunda concepción, en particular al nihilismo nietzscheano, solamente como planteo del estado de la cuestión, buscando remover críticamente una objeción recurrente en la historia del pensamiento sobre el alcance y límites de la operación humana.

¿Se disuelve la indisolubilidad matrimonial? : consideraciones acerca del debate en torno al próximo Sínodo

Resumen: El artículo ofrece algunas reflexiones en torno a la delicada cuestión de un posible acceso a la comunión eucarística por parte de personas divorciadas en nueva unión civil. Se aborda, en primer lugar, la relación entre indisolubilidad matrimonial y comunión eucarística, considerada como un punto neurálgico en la discusión reciente. Partiendo de una importante afirmación de Evangelii Gaudium se ofrecen luego consideraciones acerca de la naturaleza medicinal de la eucaristía y, finalmente, algunas observaciones en relación con la teología de la gracia.

Condicionantes epistémicos y extra-epistémicos de la apropiación social de las creencias científicas

Resumen: En este artículo se examina el proceso de distribución y apropiación social de las creencias científicas como una forma particular de intercambio de conocimiento entre agentes en condiciones de asimetría cognitiva. Se parte de la premisa de que el “principio general del testimonio” capta la estructura epistémica de deferencia a la autoridad cognitiva que permite la circulación de saber entre científicos y legos. En ese marco se analizan la atribución de crédito y construcción de la confianza recíproca involucrados en el desarrollo de la interacción. Para concluir, se destaca la relevancia que adquiere en esos procesos un núcleo de presupuestos de orden sociocultural –las representaciones sociales de los agentes– que conforma el contexto significativo en que se enmarca el intercambio de conocimiento.

La excéntrica centralidad de las materias artúrica y caballeresca en la narrativa gallega y catalana de la década de 1950 (Merlín e familia de Cunqueiro y Llibre cavalleries de Perucho)

Integran este número de la revista ponencias presentadas en Studia Hispanica Medievalia VIII: Actas de las IX Jornadas Internacionales de Literatura Española Medieval, 2008, y de Homenaje al Quinto Centenario de Amadis de Gaula