Identification of key amino acid residues in the catalytic mechanism of diaminopropionate ammonialyase from Salmonella typhimurium

Diaminopropionate ammonialyase (DAPAL), a fold-typeII pyridoxal 5-phosphate-dependent enzyme, catalyzes the ,-elimination of diaminopropionate (DAP) to pyruvate and ammonia. DAPAL was able to utilize both d- and l-DAP as substrates with almost equal efficiency. Mutational analysis of functionally important residues such as Thr385, Asp125 and Asp194 was carried out to understand the mechanism by which the isomers are hydrolyzed. Further, the putative residues involved in the formation of disulfide bond Cys271 and Cys299 were also mutated. T385S, T385D sDAPAL were as active with dl-DAP as substrate as sDAPAL, whereas the later exhibited a threefold increase in catalytic efficiency with d-Ser as substrate. Further analysis of these mutants suggested that DAPAL might follow an anti-E-2 mechanism of catalysis that does not involve the formation of a quinonoid intermediate. Of the two mutants of Asp125, D125E showed complete loss of activity with d-DAP as substrate, whereas the reaction with l-DAP was not affected significantly, demonstrating that Asp125 was essential for abstraction of protons from the d-isomer. By contrast, mutational analysis of Asp194 showed that the residue may not be directly involved in proton abstraction from l-DAP. sDAPAL does not form a disulfide bond in solution, although the position of Cys299 and Cys271 in the modeled structure of sDAPAL favored the formation of a disulfide bond. Further, unlike eDAPAL, sDAPAL could be activated by monovalent cations. Mutation of the cysteine residues showed that Cys271 may be involved in coordinating the monovalent cation, as observed in the case of other fold-typeII enzymes.

Current trends in modeling hostpathogen interactions

The rapid emergence of infectious diseases calls for immediate attention to determine practical solutions for intervention strategies. To this end, it becomes necessary to obtain a holistic view of the complex hostpathogen interactome. Advances in omics and related technology have resulted in massive generation of data for the interacting systems at unprecedented levels of detail. Systems-level studies with the aid of mathematical tools contribute to a deeper understanding of biological systems, where intuitive reasoning alone does not suffice. In this review, we discuss different aspects of hostpathogen interactions (HPIs) and the available data resources and tools used to study them. We discuss in detail models of HPIs at various levels of abstraction, along with their applications and limitations. We also enlist a few case studies, which incorporate different modeling approaches, providing significant insights into disease. (c) 2013 Wiley Periodicals, Inc.

SUPPORTING ENVIRONMENTALLY-BENIGN DESIGN ELUCIDATING ENVIRONMENTAL IMPACT PROPAGATION IN CONCEPTUAL DESIGN PHASE BY SAPPHIRE MODEL OF CAUSALITY

Conceptual Design Phase is the most critical for design decisions and their impact on the Environment. It is also a phase of many `unknowns' making it flexible and allowing exploration of many solutions. Thus, it is a challenge to determine the most Environmentally-benign Solution or Concept to be translated in to a `good' product. The SAPPhIRE Model captures the various levels of abstractions present in Conceptual Design by Outcomes and defines a Solution-variant as a set of verifiable and quantifiable Outcomes. The Causality explains the propagation of Environmental Impact across Outcomes at varying levels of abstraction, suggesting that the Environmental Impact of an Outcome at a certain level can be represented as a collation of Environmental Impact information of all the Outcomes at each of its subsequent lower levels of abstraction. Thus a ball-park impact value can be associated with the higher-levels of abstraction, thereby supporting design decisions taken earlier on in Conceptual Design directing towards Environmentally-benign Design.

YIn0.9Mn0.1O3-ZnO nano-pigment exhibiting intense blue color with impressive solar reflectance

The current study reports on the synthesis and characterization of a new inorganic nano-pigment with an intense blue color and high solar radiation reflective properties (70%). The nano-pigment YIn0.9Mn0.1O3-ZnO was synthesized by a sol-gel combustion method and characterized with the aid of X-Ray diffraction, Raman spectroscopy, Magnetic susceptibility, Transmission electron microscopy, UV ndash;vis-NIR diffuse reflectance spectroscopy and CIE-1976 L*a*b* color measurements. The Rietveld refinement of the XRD patterns of the developed nano-pigment disclosed the existence of YIn0.9Mn0.1O3 and ZnO in a 1:1 ratio with hexagonal crystal structures. For comparison, YIn0.9Mn0.1O3 was also synthesized by the sol gel combustion route and its optical properties compared with that of YIn0.9Mn0.1O3-ZnO. It is interesting to note that the developed YIn0.9Mn0.1O3-ZnO nano-pigmeht exhibits superior blue hue (b* = -40.55) and solar reflectance (R* = 70%) values as compared to the YIn0.9Mn0.1O3 nano-pigment (b* = -22.28, R* = 50%). Most importantly, the potential utility of the nano-pigment as a ``Cool Pigment'' was demonstrated by coating onto roofing materials like aluminum roofing sheets. (C) 2015 Elsevier Ltd. All rights reserved.

An out-of-plane linear motion measurement system based on optical beam deflection

Measurement of out-of-plane linear motion with high precision and bandwidth is indispensable for development of precision motion stages and for dynamic characterization of mechanical structures. This paper presents an optical beam deflection (OBD) based system for measurement of out-of-plane linear motion for fully reflective samples. The system also achieves nearly zero cross-sensitivity to angular motion, and a large working distance. The sensitivities to linear and angular motion are analytically obtained and employed to optimize the system design. The optimal shot-noise limited resolution is shown to be less than one angstrom over a bandwidth in excess of 1 kHz. Subsequently, the system is experimentally realized and the sensitivities to out-of-plane motions are calibrated using a novel strategy. The linear sensitivity is found to be in agreement with theory. The angular sensitivity is shown to be over 7.5-times smaller than that of conventional OBD. Finally, the measurement system is employed to measure the transient response of a piezo-positioner, and, with the aid of an open-loop controller, reduce the settling time by about 90%. It is also employed to operate the positioner in closed-loop and demonstrate significant minimization of hysteresis and positioning error.

A Closer Look at Multiple Forking: Leveraging (In)Dependence for a Tighter Bound

Boldyreva, Palacio and Warinschi introduced a multiple forking game as an extension of general forking. The notion of (multiple) forking is a useful abstraction from the actual simulation of cryptographic scheme to the adversary in a security reduction, and is achieved through the intermediary of a so-called wrapper algorithm. Multiple forking has turned out to be a useful tool in the security argument of several cryptographic protocols. However, a reduction employing multiple forking incurs a significant degradation of , where denotes the upper bound on the underlying random oracle calls and , the number of forkings. In this work we take a closer look at the reasons for the degradation with a tighter security bound in mind. We nail down the exact set of conditions for success in the multiple forking game. A careful analysis of the cryptographic schemes and corresponding security reduction employing multiple forking leads to the formulation of `dependence' and `independence' conditions pertaining to the output of the wrapper in different rounds. Based on the (in)dependence conditions we propose a general framework of multiple forking and a General Multiple Forking Lemma. Leveraging (in)dependence to the full allows us to improve the degradation factor in the multiple forking game by a factor of . By implication, the cost of a single forking involving two random oracles (augmented forking) matches that involving a single random oracle (elementary forking). Finally, we study the effect of these observations on the concrete security of existing schemes employing multiple forking. We conclude that by careful design of the protocol (and the wrapper in the security reduction) it is possible to harness our observations to the full extent.

Triplet excited electronic state switching induced by hydrogen bonding: A transient absorption spectroscopy and time-dependent DFT study

The solvent plays a decisive role in the photochemistry and photophysics of aromatic ketones. Xanthone (XT) is one such aromatic ketone and its triplet-triplet (T-T) absorption spectra show intriguing solvatochromic behavior. Also, the reactivity of XT towards H-atom abstraction shows an unprecedented decrease in protic solvents relative to aprotic solvents. Therefore, a comprehensive solvatochromic analysis of the triplet-triplet absorption spectra of XT was carried out in conjunction with time dependent density functional theory using the ad hoc explicit solvent model approach. A detailed solvatochromic analysis of the T-T absorption bands of XT suggests that the hydrogen bonding interactions are different in the corresponding triplet excited states. Furthermore, the contributions of non-specific and hydrogen bonding interactions towards differential solvation of the triplet states in protic solvents were found to be of equal magnitude. The frontier molecular orbital and electron density difference analysis of the T-1 and T-2 states of XT indicates that the charge redistribution in these states leads to intermolecular hydrogen bond strengthening and weakening, respectively, relative to the S-0 state. This is further supported by the vertical excitation energy calculations of the XT-methanol supra-molecular complex. The intermolecular hydrogen bonding potential energy curves obtained for this complex in the S-0, T-1, and T-2 states support the model. In summary, we propose that the different hydrogen bonding mechanisms exhibited by the two lowest triplet excited states of XT result in a decreasing role of the n pi* triplet state, and are thus responsible for its reduced reactivity towards H-atom abstraction in protic solvents. (C) 2016 AIP Publishing LLC.

La abstracción formal y la validación del razonamiento inductivo

Resumen: Suele admitirse que uno de los problemas pendientes, al menos desde Hume, en la teoría de la ciencia es la justificación crítica de los procesos inductivos, que son los que siguen las ciencias experimentales, como son las ciencias naturales. Frente a las ineficaces explicaciones aportadas por el empirismo o neopositivismo, así como por los racionalismos o idealismos, que son radicalmente incapaces para resolver el problema, nosotros presentamos la respuesta del realismo aristotélico, basada en el correcto concepto de abstracción formal, ignorado o malentendido incluso por muchos aristotélicos tanto antiguos como modernos. La respuesta consiste, en suma, en ver que el término del proceso inductivo, en cuanto llega a conclusiones universales a partir de lo particular, debe estar mediado por un proceso previo de abstracción de la forma, bien entendida, en lo mismo concreto y particular. Ello permite ver que la conclusión universal no desborda las premisas, que es el problema clásico de la epagogé aristotélica.

La integración del saber en la obra de Jacques Maritain

Resumen: La cuestión sobre la integración del saber es un tema particularmente relevante en el panorama de la epistemología actual. Nuestra época promueve un clima favorable al diálogo, pero con resultados de valor desparejo. Uno de los grandes intelectuales cristianos del siglo XX, Jacques Maritain, dedicó una parte importante de su obra a reflexionar sobre estas cuestiones. Siguiendo su lema distinguir para unir este trabajo se despliega en dos partes: la primera referida al momento de distinción entre las disciplinas, y la segunda al momento de su (relativa) unificación. En esta entrega se avanza a partir de las intuiciones primordiales de la sabiduría metafísica y las grandes categorías del conocimiento: el saber en sentido analógico, la filosofía, la ciencia y la teología. Maritain introduce el criterio de división a partir de lo especulativo y lo práctico. Luego, en el orden especulativo, recurre a la doctrina tradicional sobre la abstracción y sus formas, esforzándose por adaptar los principios que la inspiran a la compleja temática de la ciencia actual. Se cierra con una consideración acerca de las modalidades del saber práctico. Este movimiento de distinción será completado en la segunda parte del trabajo a partir de las exigencias de complementación de las disciplinas involucradas.

La teoría aristotélica de la abstracción y su olvido moderno

Resumen: Este estudio analiza la teoría aristotélica de la abstracción, tratando de rescatar su sentido originario a partir de los textos del autor, así como los aportes de los aristotélicos medievales más relevantes, especialmente Tomás de Aquino. Y luego se pasa a describir algunos hitos fundamentales de la evolución posterior de dicha teoría en la historia de la Filosofía, como son: 1) La contraposición entre abstracción e intuición en Duns Escoto y Guillermo de Ockham. 2) el intuicionismo de Descartes 3) La reinterpretación empirista de la abstracción en J. Locke 4) La ausencia de la abstracción en el Espinoza, Leibniz y Kant, así como su sustitución por la “aufhebung” en Hegel. 5) La peculiar aproximación husserliana a la abstracción a partir de su método fenomenológico y 6) la relación de la teoría de la abstracción con el pensamiento de algunos autores contemporáneos como Zubiri, Polo y, especialmente, Heidegger.

Fe y teología : elogio de la via eminentiae

Resumen: Este texto muestra la importancia de la conversión como parte esencial de la tarea pensante de la teología a la hora de la Nueva Evangelización. El autor relaciona la eficacia de la palabra teológica en diálogo con la actual cultura posmoderna, con la exigencia –para la teología– de superar críticamente sus propias posibles idolatrías, entrando decidida y gozosamente en la via eminentiae, en el camino incesante hacia el “Dios siempre mayor”, que es, a la vez, el camino hacia lo auténticamente humano. El itinerario del apóstol Pedro ilustra ejemplarmente el planteo que propone el autor.

A cátedra e a tribuna : sociologia, política e língua em Gilberto Freyre

Rastreia os pontos de contato e de afastamento entre duas atividades fundamentais na trajetória de Gilberto Freyre. Destas, uma é trabalho de praticamente toda a vida - a sociologia e a antropologia. A outra é atividade bissexta - a atuação parlamentar no período 1946/1950. Por um lado, tem-se que o trabalho do cientista é moroso e altamente reflexivo. A atividade parlamentar, ao contrário, é nervosa e na maioria das vezes perpassada dos sentimentos da hora. A linguagem empregada e os fins a que se destinam, aparentemente, são igualmente diversos. Verifica a pertinência ou não desses estereótipos, ou, ao contrário, se os pronunciamentos do deputado e a obra do acadêmico confluem em um ou mais aspectos.

Review of river fisheries valuation in Central and South America

Unlike Africa and Asia, where a large part of the population are heavily dependent upon fishing for their livelihoods, fishing for a living in the interior of Central and South America (CSA) remains a marginal occupation for all but the most isolated of families. As such, the economics and management of fisheries on the continent have received little attention from within the continent and the rest of the world. This study shows that while a number of studies have been carried out on fishing in the region, they tend to be limited in their geographical focus and time scale. Although fishing of freshwater species may appear to be comparatively insignificant in the region, the rivers of CSA are very important. This report attempts to analyze the literature available on CSA river fisheries and attempts to draw out an economic value of these fisheries. It is divided into a number of sections. First, the authors describe the major river basins on the continent, characterize their fisheries, and place freshwater fisheries in CSA into a global context. Second, the authors provide a review of valuation techniques for fisheries and use this analytical framework to review the principal literature on freshwater fisheries in the region. Then they turn their attention to the economic impact of dams and water abstraction schemes, reviewing the available literature to ascertain how/if economic values are computed for the impact on fisheries. Finally, they offer some conclusions and recommendations on the direction for future studies of freshwater fisheries in CSA.

Model driven product line engineering : core asset and process implications

Reuse is at the heart of major improvements in productivity and quality in Software Engineering. Both Model Driven Engineering (MDE) and Software Product Line Engineering (SPLE) are software development paradigms that promote reuse. Specifically, they promote systematic reuse and a departure from craftsmanship towards an industrialization of the software development process. MDE and SPLE have established their benefits separately. Their combination, here called Model Driven Product Line Engineering (MDPLE), gathers together the advantages of both. Nevertheless, this blending requires MDE to be recasted in SPLE terms. This has implications on both the core assets and the software development process. The challenges are twofold: (i) models become central core assets from which products are obtained and (ii) the software development process needs to cater for the changes that SPLE and MDE introduce. This dissertation proposes a solution to the first challenge following a feature oriented approach, with an emphasis on reuse and early detection of inconsistencies. The second part is dedicated to assembly processes, a clear example of the complexity MDPLE introduces in software development processes. This work advocates for a new discipline inside the general software development process, i.e., the Assembly Plan Management, which raises the abstraction level and increases reuse in such processes. Different case studies illustrate the presented ideas.

Huntingdonshire Regional College: e-Portfolio system motors students to success and improves organisational efficiency

By introducing the OneFile e–portfolio system, the Motor Vehicle department at Huntingdonshire Regional College has revolutionised its teaching and learning delivery, improved organisational efficiency, and helped students achieve qualifications quicker. Bundles of paper have been scrapped, students can now upload video and audio as reflective evidence, and assessors no longer have to go on unnecessary visits to collect papers and signatures. What's more, the department has saved time and money, diversified learning and made an impact on its carbon footprint.