178 research outputs found

    Living without Oxygen: Anoxia-Responsive Gene Expression and Regulation

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    Many species of marine mollusks demonstrate exceptional capacities for long term survival without oxygen. Analysis of gene expression under anoxic conditions, including the subsequent translational responses, allows examination of the functional mechanisms that support and regulate natural anaerobiosis and permit noninjurious transitions between aerobic and anoxic states. Identification of stress-specific gene expression can provide important insights into the metabolic adaptations that are needed for anoxia tolerance, with potential applications to anoxia-intolerant systems. Various methods are available to do this, including high throughput microarray screening and construction and screening of cDNA libraries. Anoxia-responsive genes have been identified in mollusks; some have known functions in other organisms but were not previously linked with anoxia survival. In other cases, completely novel anoxia-responsive genes have been discovered, some that show known motifs or domains that hint at function. Selected genes are expressed at different times over an anoxia-recovery time course with their transcription and translation being actively regulated to ensure protein expression at the optimal time. An examination of transcript status over the course of anoxia exposure and subsequent aerobic recovery identifies genes, and the proteins that they encode, that enhance cell survival under oxygen-limited conditions. Analysis of data generated from non-mainstream model systems allows for insight into the response by cells to anoxia stress

    I-V characteristics and differential conductance fluctuations of Au nanowires

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    Electronic transport properties of Au nano-structure are investigated using both experimental and theoretical analysis. Experimentally, stable Au nanowires were created using mechanically controllable break junction in air, and simultaneous current-voltage (I-V) and differential conductance ÎŽI/ÎŽV\delta I/\delta V data were measured. The atomic device scale structures are mechanically very stable up to bias voltage Vb∌0.6VV_b\sim0.6V and have a life time of a few minutesminutes. Facilitated by a shape function data analysis technique which finger-prints electronic properties of the atomic device, our data show clearly differential conductance fluctuations with an amplitude >1>1% at room temperature, and a nonlinear I-V characteristics. To understand the transport features of these atomic scale conductors, we carried out {\it ab initio} calculations on various Au atomic wires. The theoretical results demonstrate that transport properties of these systems crucially depend on the electronic properties of the scattering region, the leads, and most importantly the interaction of the scattering region with the leads. For ideal, clean Au contacts, the theoretical results indicate a linear I-V behavior for bias voltage Vb<0.5VV_b<0.5V. When sulfur impurities exist at the contact junction, nonlinear I-V curves emerge due to a tunnelling barrier established in the presence of the S atom. The most striking observation is that even a single S atom can cause a qualitative change of the I-V curve from linear to nonlinear. A quantitatively favorable comparison between experimental data and theoretical results is obtained. We also report other results concerning quantum transport through Au atomic contacts.Comment: 11 pages and 9 figures, submitted to PR

    Ab initio I-V characteristics of short C-20 chains

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    De ChĂ©ticamp Ă  K’jipuktuk : learning and living in translation

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    1 online resource (iii, 20 pages)Includes abstract in English and French.Includes bibliographical references (page 20).The Third Space, a term coined by postcolonial critic Homi K. Bhabha, is a space in which binary conceptions of identity cease to exist. For a bilingual person, this space therefore offers the possibility of a hybrid conception of language and, consequently, of identity. Instead of demanding that a choice be made between English and French, for example, the Third Space makes it possible to embrace these two linguistic identities simultaneously. In this vein, Halifax is a Third Space which allows me to experience the triple paradox that is the anglo-franco-acadien and the corresponding aspects of culture and identity. My experiences as an Acadian, francophone and anglophone have profoundly influenced my conceptualization of language and, consequently, my translation practices. This led to the development of a feminist ethics of translation during the translation of the intercultural studies textbook. Like Bhabha’s Third Space, my translation rejected all binary conceptions of gender to instead use neutral terms. Some of these words and expressions are not often used in the target language, but it is only by using new innovative terminology that language can evolve and be more inclusive

    Current rectification by simple molecular quantum dots: an ab-initio study

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    We calculate a current rectification by molecules containing a conjugated molecular group sandwiched between two saturated (insulating) molecular groups of different length (molecular quantum dot) using an ab-initio non-equilibrium Green's function method. In particular, we study S-(CH2)m-C10H6-(CH2)n-S dithiol with Naphthalene as a conjugated central group. The rectification current ratio ~35 has been observed at m = 2 and n = 10, due to resonant tunneling through the molecular orbital (MO) closest to the electrode Fermi level (lowest unoccupied MO in the present case). The rectification is limited by interference of other conducting orbitals, but can be improved by e.g. adding an electron withdrawing group to the naphthalene.Comment: 8 pages, 9 figure

    First-principles investigation of spin polarized conductance in atomic carbon wire

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    We analyze spin-dependent energetics and conductance for one dimensional (1D) atomic carbon wires consisting of terminal magnetic (Co) and interior nonmagnetic (C) atoms sandwiched between gold electrodes, obtained employing first-principles gradient corrected density functional theory and Landauer's formalism for conductance. Wires containing an even number of interior carbon atoms are found to be acetylenic with sigma-pi bonding patterns, while cumulene structures are seen in wires containing odd number of interior carbon atoms, as a result of strong pi-conjugation. Ground states of carbon wires containing up to 13 C atoms are found to have anti-parallel spin configurations of the two terminal Co atoms, while the 14 C wire has a parallel Co spin configuration in the ground state. The stability of the anti-ferromagnetic state in the wires is ascribed to a super-exchange effect. For the cumulenic wires this effect is constant for all wire lengths. For the acetylenic wires, the super-exchange effect diminishes as the wire length increases, going to zero for the atomic wire containing 14 carbon atoms. Conductance calculations at the zero bias limit show spin-valve behavior, with the parallel Co spin configuration state giving higher conductance than the corresponding anti-parallel state, and a non-monotonic variation of conductance with the length of the wires for both spin configurations.Comment: revtex, 6 pages, 5 figure

    Ballistic conductance of Ni nanowire with a magnetization reversal

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    The approach proposed by Choi and Ihm for calculating the ballistic conductance of open quantum systems is generalized to deal with magnetic transition metals. The method has been implemented with ultrasoft pseudopotentials and plane wave basis set in a DFT-LSDA ab-initio scheme. We present the quantum-mechanical conductance calculations for monatomic Ni nanowire with a single spin reversal. We find that a spin reversal blocks the conductance of dd electrons at the Fermi energy of the Ni nanowire. On the other hand, two ss electrons (one per each spin) are perfectly transmitted in the whole energy window giving 2G02G_0 for the total conductance. The relevance of these results in connection with recent experimental data is discussed.Comment: 4 pages, 1 figure, to be published in Surface Scienc

    Effect of impurities on transport through organic molecular films from first principles

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    We calculate electron transport through molecular monolayers of saturated alkanes with point defects from first principles. Single defects (incorporated Au ions, kinks, dangling bonds) produce deep localized levels in the gap between occupied and unoccupied molecular levels. Single defects produce steps on the I-V curve, whereas pairs of (unlike and like) defects give negative differential resistance peaks. The results are discussed in relation to the observed unusual transport behavior of organic monolayers and compared with transport through conjugated polythiophenes.Comment: 5 pages, 2 figures. Small typos corrected and text slightly shortened. To appear in Phys. Rev.

    First-Principles Analysis of Molecular Conduction Using Quantum Chemistry Software

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    We present a rigorous and computationally efficient method to do a parameter-free analysis of molecular wires connected to contacts. The self-consistent field approach is coupled with Non-equilibrium Green's Function (NEGF) formalism to describe electronic transport under an applied bias. Standard quantum chemistry software is used to calculate the self-consistent field using density functional theory (DFT). Such close coupling to standard quantum chemistry software not only makes the procedure simple to implement but also makes the relation between the I-V characteristics and the chemistry of the molecule more obvious. We use our method to interpolate between two extreme examples of transport through a molecular wire connected to gold (111) contacts: band conduction in a metallic (gold) nanowire, and resonant conduction through broadened, quasidiscrete levels of a phenyl dithiol molecule. We obtain several quantities of interest like I-V characteristic, electron density and voltage drop along the molecule.Comment: Accepted for publication in J. Chem. Phys. (Special issue on molecular electronics, Ed. Mark Ratner

    First-Principles Based Matrix-Green's Function Approach to Molecular Electronic Devices: General Formalism

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    Transport in molecular electronic devices is different from that in semiconductor mesoscopic devices in two important aspects: (1) the effect of the electronic structure and (2) the effect of the interface to the external contact. A rigorous treatment of molecular electronic devices will require the inclusion of these effects in the context of an open system exchanging particle and energy with the external environment. This calls for combining the theory of quantum transport with the theory of electronic structure starting from the first-principles. We present a rigorous yet tractable matrix Green's function approach for studying transport in molecular electronic devices, based on the Non-Equilibrium Green's Function Formalism of quantum transport and the density-functional theory of electronic structure using local orbital basis sets. By separating the device rigorously into the molecular region and the contact region, we can take full advantage of the natural spatial locality associated with the metallic screening in the electrodes and focus on the physical processes in the finite molecular region. This not only opens up the possibility of using the existing well-established technique of molecular electronic structure theory in transport calculations with little change, but also allows us to use the language of qualitative molecular orbital theory to interpret and rationalize the results of the computation. For the device at equilibrium, our method provides an alternative approach for solving the molecular chemisorption problem. For the device out of equilibrium, we show that the calculation of elastic current transport through molecules, both conceptually and computationally, is no more difficult than solving the chemisorption problem.Comment: To appear in Chemical Physic
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