Structure of uracil-DNA glycosylase from Mycobacterium tuberculosis: insights into interactions with ligands

Uracil N-glycosylase (Ung) is the most thoroughly studied of the group of uracil DNA-glycosylase (UDG) enzymes that catalyse the first step in the uracil excision-repair pathway. The overall structure of the enzyme from Mycobacterium tuberculosis is essentially the same as that of the enzyme from other sources. However, differences exist in the N- and C-terminal stretches and some catalytic loops. Comparison with appropriate structures indicate that the two-domain enzyme closes slightly when binding to DNA, while it opens slightly when binding to the proteinaceous inhibitor Ugi. The structural changes in the catalytic loops on complexation reflect the special features of their structure in the mycobacterial protein. A comparative analysis of available sequences of the enzyme from different sources indicates high conservation of amino-acid residues in the catalytic loops. The uracil-binding pocket in the structure is occupied by a citrate ion. The interactions of the citrate ion with the protein mimic those of uracil, in addition to providing insights into other possible interactions that inhibitors could be involved in.

Les fleuves dans l'œuvre romanesque de Jean-Marie Gustave Le Clézio

Relying on Merleau-Ponty's phenomenology of perception and on Mircea Eliade's works on the Sacred and the Profane, this study explores the river as a perceptual space and as the sacred Center in a cosmic vision of the world in twelve of Jean-Marie Gustave Le Clézio's fictional works, from The Interrogation (1963) to Revolutions (2003). In the first chapter, after introducing the field of study, I discuss the relation between the radical subjectivity and the evasiveness of perceiving subjects in Le Clézio's fiction. Next are some thoughts on the relation between Merleau-Ponty's and Le Clézio's ideas. The second chapter studies the river as an experience in the text, first as a topographical space, then as a sound world. The investigations move on to its water as a visual and a tactile phenomenon. Then follows the human use of the river, the (absence of) baths, and the river as a traveling space. The chapter closes with the study of the metaphorical use of the word, occurring mainly in urban space and for phenomena in the sky. The third chapter is organized around the river as the Center of the world in a religious cosmogony, where the river represents the origin of the world and of the human race. The core analysis shows how the middle of the river is a symbolic space of a new beginning. As a sacred space, the river abolishes time as the object of contemplation and as relative immobility from the point of view of a person drifting downstream. The functions of a new beginning and of abolition of time are combined in the symbolic immersions in the water. Finally, the dissertation explores other symbolical spaces, such as the unknown destination of the drift, and the river as the Center of a utopia. The chapter closes with the existential agony as a result of the elimination of the Center in the urban environment. In the final chapter, the river is compared to other watercourses : the creek, the brook and the rapids. The river is more of a spatial entity, whereas the actual water is more important in the smaller watercourses. The river is more common than the other watercourses as a topographical element in the landscape, whereas the minor watercourses invite the characters to a closer contact with their element, in immersions and in drinking their water. Finally, the work situates the rivers in a broader context of different fictional spaces in Le Clézio's text.

The phenomenon of notch in an NEMP simulator and its reduction

The effect of variation in the switching instant of the output switch of the pulser circuit used in energizing an NEMP simulator on the voltage fed to the simulator and hence the electric field within the working volume of the simulator has been studied. Depending upon the instant at which the output switch closes, the amplitude and the wave shape of the voltage that is fed to the illuminator varies. This wave shape of the output voltage from the pulser circuit determines the shape and characteristics of the electric field within the working volume of the simulator. To study the effect of variation in the switching instant on the vertical electric field within the working volume, the vertical electric field has been computed in time and frequency domains. For certain switching instants, the electric field shows a sharp reduction in its amplitude after the peak which is called the notch. The presence of notch results in the test object not getting illuminated with all the frequencies of interest. The notch has been successfully reduced by suitably modifying the pulser circuit.

Ultrafast quasiparticle relaxation dynamics in superconducting iron pnictide Ca(Fe0.944Co0.056)(2)As-2

Nonequilibrium quasiparticle relaxation dynamics is reported in superconducting Ca(Fe0.944Co0.056)(2)As-2 single crystals by measuring transient reflectivity changes using femtosecond time-resolved pump-probe spectroscopy. Large changes in the temperature-dependent differential reflectivity values in the vicinity of the spin density wave (T-SDW) and superconducting (T-SC) transition temperatures of the sample have been inferred to have charge gap opening at those temperatures. We have estimated the zero-temperature charge gap value in the superconducting state to be similar to 1.8k(B)T(SC) and an electron-phonon coupling constant lambda of similar to 0.1 in the normal state that signifies the weak coupling in iron pnictides. From the peculiar temperature-dependence of the quasiparticle dynamics in the intermediate temperature region between T-SC and T-SDW we infer a temperature scale where the charge gap associated with the spin ordered phase is maximum and closes on either side while approaching the two phase transition temperatures.

Constraining gravity using entanglement in AdS/CFT

We investigate constraints imposed by entanglement on gravity in the context of holography. First, by demanding that relative entropy is positive and using the Ryu-Takayanagi entropy functional, we find certain constraints at a nonlinear level for the dual gravity. Second, by considering Gauss-Bonnet gravity, we show that for a class of small perturbations around the vacuum state, the positivity of the two point function of the field theory stress tensor guarantees the positivity of the relative entropy. Further, if we impose that the entangling surface closes off smoothly in the bulk interior, we find restrictions on the coupling constant in Gauss-Bonnet gravity. We also give an example of an anisotropic excited state in an unstable phase with broken conformal invariance which leads to a negative relative entropy.

Deformation pathways and breakup modes in acoustically levitated bicomponent droplets under external heating

Controlled breakup of droplets using heat or acoustics is pivotal in applications such as pharmaceutics, nanoparticle production, and combustion. In the current work we have identified distinct thermal acoustics-induced deformation regimes (ligaments and bubbles) and breakup dynamics in externally heated acoustically levitated bicomponent (benzene-dodecane) droplets with a wide variation in volatility of the two components (benzene is significantly more volatile than dodecane). We showcase the physical mechanism and universal behavior of droplet surface caving in leading to the inception and growth of ligaments. The caving of the top surface is governed by a balance between the acoustic pressure field and the restrictive surface tension of the droplet. The universal collapse of caving profiles for different benzene concentration (<70% by volume) is shown by using an appropriate time scale obtained from force balance. Continuous caving leads to the formation of a liquid membrane-type structure which undergoes radial extension due to inertia gained during the precursor phase. The membrane subsequently closes at the rim and the kinetic energy leads to ligament formation and growth. Subsequent ligament breakup is primarily Rayleigh-Plateau type. The breakup mode shifts to diffusional entrapment-induced boiling with an increase in concentration of the volatile component (benzene >70% by volume). The findings are portable to any similar bicomponent systems with differential volatility.

Biblical evidence from Obadiah and Psalm 137 for an Edomite treaty betrayal of Judah in the sixth century B.C.E.

Abstract: Focusing on Obadiah and Psalm 137, this article provides biblical evidence for an Edomite treaty betrayal of Judah during the Babylonian crisis ca. 588–586 B.C.E. After setting a context that includes the use of treaties in the ancient Near East to establish expectations for political relationships and the likelihood that Edom could operate as a political entity in the Judahite Negev during the Babylonian assault, this article demonstrates that Obadiah’s poetics include a density of inverted form and content (a reversal motif) pointing to treaty betrayal. Obadiah’s modifications of Jeremiah 49, a text with close thematic and terminological parallels, evidence an Edomite treaty betrayal of Judah. Moreover, the study shows that Obadiah is replete with treaty allusions. A study of Psalm 137 in comparison with Aramaic treaty texts from Sefire reveals that this difficult psalm also evidences a treaty betrayal by Edom and includes elements appropriate for treaty curses. The article closes with a discussion of piecemeal data from a few other biblical texts, a criticism of the view that Edom was innocent during the Babylonian crisis, and a suggestion that this treaty betrayal may have contributed to the production of some anti-Edom biblical material.

Technology Outlook as a tool for the management of innovation

[EN] The purpose of this paper is to present a theoretical overview of innovation management and the tools that can aid in this endeavour. The paper adopts a user-oriented description, aiming at making SMEs familiar with the possibilities opened by innovation management tools in general and technology outlook in particular.

Efficient Gate-tunable light-emitting device made of defective boron nitride nanotubes: from ultraviolet to the visible

Boron nitride is a promising material for nanotechnology applications due to its two-dimensional graphene-like, insulating, and highly-resistant structure. Recently it has received a lot of attention as a substrate to grow and isolate graphene as well as for its intrinsic UV lasing response. Similar to carbon, one-dimensional boron nitride nanotubes (BNNTs) have been theoretically predicted and later synthesised. Here we use first principles simulations to unambiguously demonstrate that i) BN nanotubes inherit the highly efficient UV luminescence of hexagonal BN; ii) the application of an external perpendicular field closes the electronic gap keeping the UV lasing with lower yield; iii) defects in BNNTS are responsible for tunable light emission from the UV to the visible controlled by a transverse electric field (TEF). Our present findings pave the road towards optoelectronic applications of BN-nanotube-based devices that are simple to implement because they do not require any special doping or complex growth

2,4-dimethylene-1,3-cyclobutanediyl and 2,4-dimethylenebicyclobutane. Synthesis, spectroscopy, and reactivity of a triplet biradical and its covalent isomer

The preparation and direct observation of triplet 2,4-dimethylene-1,3- cyclobutanediyl (1), the non-Kekule isomer of benzene, is described. The biradical was generated by photolysis of 5,6-dimethylene-2,3- diazabicyclo[2.1.1]hex-2-ene (2) (which was synthesized in several steps from benzvalene) under cryogenic, matrix-isolation conditions. Biradical 1 was characterized by EPR spectroscopy (‌‌‌‌‌│D/hc│ =0.0204 cm^(-1), │E/hc│ =0.0028 cm^(-1)) and found to have a triplet ground state. The Δm_s= 2 transition displays hyperfine splitting attributed to a 7.3-G coupling to the ring methine and a 5.9-G coupling to the exocyclic methylene protons. Several experiments, including application of the magnetophotoselection (mps) technique in the generation of biradical 1, have allowed a determination of the zero-field triplet sublevels as x = -0.0040, y = +0.0136, and z = -0.0096 cm^(-1), where x and y are respectively the long and short in-plane axes and z the out-of-plane axis of 1.

Triplet 1 is yellow-orange and displays highly structured absorption (λ_(max)= 506 nm) and fluorescence (λ_(max) = 510 nm) spectra, with vibronic spacings of 1520 and 620 cm^(-1) for absorption and 1570 and 620 cm^(-1) for emission. The spectra were unequivocally assigned to triplet 1 by the use of a novel technique that takes advantage of the biradical's photolability. The absorption є = 7200 M^(-1) cm^(-1) and f = 0.022, establishing that the transition is spin-allowed. Further use of the mps technique has demonstrated that the transition is x-polarized, and the excited state 1s therefore of B_(1g) symmetry, in accord with theoretical predictions.

Thermolysis or direct photolysis of diazene 2 in fluid solution produces 2,4- dimethylenebicyclo[l.l.0]butane (3), whose ^(l)H NMR spectrum (-80°C, CD_(2)Cl_(2)) consists of singlets at δ 4.22 and 3.18 in a 2:1 ratio. Compound 3 is thermally unstable and dimerizes with second-order kinetics between -80 and -25°C (∆H^(‡) = 6.8 kcal mol^(-1), (∆s^(‡) = -28 eu) by a mechanism involving direct combination of two molecules of 3 in the rate-determining step. This singlet-manifold reaction ultimately produces a mixture of two dimers, 3,8,9- trimethylenetricyclo[5.1.1.0^(2,5)]non-4-ene (75) and trans-3,10-dimethylenetricyclo[6.2.0.0^(2,5)]deca-4,8-diene (76t), with the former predominating. In contrast, triplet-sensitized photolysis of 2, which leads to triplet 1, provides, in addition to 75 and 76t, a substantial amount of trans-5,10- dimethylenetricyclo[6.2.0.0^(3,6)]deca-3,8-diene (77t) and small amounts of two unidentified dimers.

In addition, triplet biradical 1 ring-closes to 3 in rigid media both thermally (77-140 K) and photochemically. In solution 3 forms triplet 1 upon energy transfer from sensitizers having relatively low triplet energies. The implications of the thermal chemistry for the energy surfaces of the system are discussed.

[G_Deba_PraileAitz] Documentación geométrica de la cueva de Praile Aitz I (Deba, Gipuzkoa)

[ES] El siguiente artículo disponible también en este repositorio muestra información relativa al presente proyecto:

Energy Supply and the Sustainability of Endogenous Growth

29 p.

Reaction of glucose catalyzed by framework and extraframework tin sites in zeolite beta

The isomerization of glucose into fructose is a large-scale reaction for the production of high-fructose corn syrup, and is now being considered as an intermediate step in the possible route of biomass conversion into fuels and chemicals. Recently, it has been shown that a hydrophobic, large pore, silica molecular sieve having the zeolite beta structure and containing framework Sn⁴⁺ (Sn-Beta) is able to isomerize glucose into fructose in aqueous media. Here, I have investigated how this catalyst converts glucose to fructose and show that it is analogous to that achieved with metalloenzymes. Specifically, glucose partitions into the molecular sieve in the pyranose form, ring opens to the acyclic form in the presence of the Lewis acid center (framework Sn⁴⁺), isomerizes into the acyclic form of fructose and finally ring closes to yield the furanose product. Akin to the metalloenzyme, the isomerization step proceeds by intramolecular hydride transfer from C2 to C1. Extraframework tin oxides located within hydrophobic channels of the molecular sieve that exclude liquid water can also isomerize glucose to fructose in aqueous media, but do so through a base-catalyzed proton abstraction mechanism. Extraframework tin oxide particles located at the external surface of the molecular sieve crystals or on amorphous silica supports are not active in aqueous media but are able to perform the isomerization in methanol by a base-catalyzed proton abstraction mechanism. Post-synthetic exchange of Na⁺ with Sn-Beta alters the glucose reaction pathway from the 1,2 intramolecular hydrogen shift (isomerization) to produce fructose towards the 1,2 intramolecular carbon shift (epimerization) that forms mannose. Na⁺ remains exchanged onto silanol groups during reaction in methanol solvent, leading to a near complete shift in selectivity towards glucose epimerization to mannose. In contrast, decationation occurs during reaction in aqueous solutions and gradually increases the reaction selectivity to isomerization at the expense of epimerization. Decationation and concomitant changes in selectivity can be eliminated by addition of NaCl to the aqueous reaction solution. Thus, framework tin sites with a proximal silanol group are the active sites for the 1, 2 intramolecular hydride shift in the isomerization of glucose to fructose, while these sites with Na-exchanged silanol group are the active sites for the 1, 2 intramolecular carbon shift in epimerization of glucose to mannose.

Livros, folhetos, jornais, calendários e folhinhas, tudo à venda na botica de Padre Tezinho: práticas sociais e práticas de leitura nos anúncios dos jornais do século XIX (1820-1831)

Este é o resultado de um trabalho desenvolvido que compõe a tese de doutorado cujo tema está focado nas práticas de leitura presentes na sociedade maranhense no século XIX, com recorte entre os anos de 1821 a 1831, data da circulação do primeiro jornal e da instalação da primeira tipografia no Maranhão, estendendo-se por todo o Primeiro Reinado quando a província começou a vivenciar os debates políticos e as transformações sociais, culturais e econômicas que lhe proporcionaram a construção de uma nova identidade. Trata- se de uma investigação histórica, tendo como fonte principal de pesquisa os jornais que circularam no Maranhão nesse período, e como sustentabilidade os reclames neles publicados que forneceram pistas necessárias para o entendimento das questões suscitadas sobre a cultura escrita, principalmente a presença de protocolos de leitura que, de forma geral, circundam ou estão vinculados às práticas de leitura e à cultura e de modo singular às pessoas, a fim de identificar as relações estabelecidas na tríade livro-leitor-leitura e, consequentemente, os desdobramentos sociais e pessoais, a partir do que era lido, produzido, veiculado ou comercializado entre os habitantes da província. Assim, houve também uma investigação de práticas sociais, incluindo ações, sujeitos e relações sociais, instrumentos, objetos, valores, tempo e lugar, não haurindo absolutamente o passado, mas garimpando referenciais que auxiliaram a entender o presente. O texto refaz um pouco a trajetória da imprensa no Maranhão, instituída com a finalidade de publicar o primeiro jornal maranhense O Conciliador do Maranhão, cujo caminho também é reconstituído assim como o dos demais jornais que circularam no período pesquisado, mostrando que eles serviram, não só para aclarar ideias, mas também para fazer brotar ideais liberalizantes. O capítulo-chave decorre das informações extraídas sobre os impressos produzidos pela imprensa local, os que estavam sendo comercializados pelo mercado maranhense, os que se encontravam no prelo local ou externo, os que se constituíam em leituras dos intelectuais e jornalistas, considerados principais construtores das práticas de leitura dos maranhenses oitocentistas. Um panorama das instituições mediadoras do livro e da leitura fecha o circuito percorrido, mostrando que as artes como a música, a pintura e o teatro serviram para delinear uma sociedade com peculiar formação crítica e que, as sociedades literárias, os gabinetes de leitura, as bibliotecas e as escolas públicas ou particulares, foram, de fato, verdadeiros baluartes da boa educação e da liberdade dos povos.

Club Penguin: a produção de subjetividade capitalística na narrativa interativa nos videogames

Na pesquisa Club Penguin: a produção de subjetividade capitalística na narrativa interativa nos videogames vamos realizar a cartografia (Deleuze & Guattari) do gameplay do Club Penguin, em sua plataforma principal, online. É uma pesquisa em andamento, já que o jogo não tem um objetivo único a ser alcançado e sua narrativa não é conclusiva, pois depende integralmente do agenciamento entre formas de pensar, agir e sentir do usuário com a programação do jogo, produzindo um rizoma que nunca se fecha. Para poder verificar seus efeitos na produção da subjetividade capitalística das primeiras pistas que seguimos foi a presença das tecnologias de informação e comunicação, que, ao mesmo tempo em que permitem a autonomia do usuário, exercem uma vigilância e um controle consentidos, produzindo dados que servem de base para a manutenção e preservação da sociedade de controle (Gilles Deleuze). Nossa segunda pista está ligada às práticas e laços que se formam no decorrer do jogo, que refletem os efeitos das relações presentes no capitalismo contemporâneo, que tem como base o consumo e a produção de signos e afetos, tal como descritas por Hardt & Negri. O percurso da terceira pista está ligado às linhas de enunciação e visibilidade cujos efeitos se refletem nos processos de subjetivação das crianças que participam do jogo, visto que o público alvo deste jogo está na faixa dos 6 aos 14 anos de idade.