WorldWideScience

Sample records for fine-tuned molecular ratchet-and-pawl

  1. Perspective: Extremely fine tuning of doping enabled by combinatorial molecular-beam epitaxy

    Directory of Open Access Journals (Sweden)

    J. Wu

    2015-06-01

    Full Text Available Chemical doping provides an effective method to control the electric properties of complex oxides. However, the state-of-art accuracy in controlling doping is limited to about 1%. This hampers elucidation of the precise doping dependences of physical properties and phenomena of interest, such as quantum phase transitions. Using the combinatorial molecular beam epitaxy, we improve the accuracy in tuning the doping level by two orders of magnitude. We illustrate this novel method by two examples: a systematic investigation of the doping dependence of interface superconductivity, and a study of the competing ground states in the vicinity of the insulator-to-superconductor transition.

  2. PDI Derivative through Fine-Tuning Molecular Structure for Fullerene-Free Organic Solar Cells

    KAUST Repository

    Sun, Hua

    2017-08-10

    A perylenediimide (PDI)-based small molecular (SM) acceptor with both an extended π-conjugation and a three dimensional structure concurrently is critical for achieving high performance PDI-based fullerene-free organic solar cells (OSCs). In this work, we designed and synthesized a novel PDI-based SM acceptor possessing both characteristics by fusing PDI units with a spiro core of 4,4’-spirobi[cyclopenta[2,1-b;3,4-b’]dithiophene(SCPDT) through the -position of the thiophene rings. An enhanced strong absorption in the range of 350–520 nm and arisen LUMO energy level of FSP was observed, compared with previous reported acceptor SCPDT-PDI4, in which the PDI units and SCPDT are not fused. OSCs based on PTB7-Th donor and FSP acceptor were fabricated and achieved a power conversion efficiency of up to 8.89% with DPE as an additive. Efficient and complementary photo absorption, favorable phase separation and balanced carrier mobilites in the blend film account for the high photovoltaic performance. This study offers an effective strategy to design high performance PDI-based acceptors.

  3. Improvement of Electrochemical Water Oxidation by Fine-Tuning the Structure of Tetradentate N4 Ligands of Molecular Copper Catalysts.

    Science.gov (United States)

    Shen, Junyu; Wang, Mei; Gao, Jinsuo; Han, Hongxian; Liu, Hong; Sun, Licheng

    2017-11-23

    Two copper complexes, [(L1)Cu(OH 2 )](BF 4 ) 2 [1; L1=N,N'-dimethyl-N,N'-bis(pyridin-2-ylmethyl)-1,2-diaminoethane] and [(L2)Cu(OH 2 )](BF 4 ) 2 [2, L2=2,7-bis(2-pyridyl)-3,6-diaza-2,6-octadiene], were prepared as molecular water oxidation catalysts. Complex 1 displayed an overpotential (η) of 1.07 V at 1 mA cm -2 and an observed rate constant (k obs ) of 13.5 s -1 at η 1.0 V in pH 9.0 phosphate buffer solution, whereas 2 exhibited a significantly smaller η (0.70 V) to reach 1 mA cm -2 and a higher k obs (50.4 s -1 ) than 1 under identical test conditions. Additionally, 2 displayed better stability than 1 in controlled potential electrolysis experiments with a faradaic efficiency of 94 % for O 2 evolution at 1.58 V, when a casing tube was used for the Pt cathode. A possible mechanism for 1- and 2-catalyzed O 2 evolution reactions is discussed based on the experimental evidence. These comparative results indicate that fine-tuning the structures of tetradentate N 4 ligands can bring about significant change in the performance of copper complexes for electrochemical water oxidation. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. Unraveling the interplay between hydrogen bonding and rotational energy barrier to fine-tune the properties of triazine molecular glasses.

    Science.gov (United States)

    Laventure, Audrey; De Grandpré, Guillaume; Soldera, Armand; Lebel, Olivier; Pellerin, Christian

    2016-01-21

    Mexylaminotriazine derivatives form molecular glasses with outstanding glass-forming ability (GFA), high resistance to crystallization (glass kinetic stability, GS), and a glass transition temperature (Tg) above room temperature that can be conveniently modulated by selection of the headgroup and ancillary groups. A common feature of all these compounds is their secondary amino linkers, suggesting that they play a critical role in their GFA and GS for reasons that remain unclear because they can simultaneously form hydrogen (H) bonds and lead to a high interconversion energy barrier between different rotamers. To investigate independently and better control the influence of H bonding capability and rotational energy barrier on Tg, GFA and GS, a library of twelve analogous molecules was synthesized with different combinations of NH, NMe and O linkers. Differential scanning calorimetry (DSC) revealed that these compounds form, with a single exception, kinetically stable glasses with Tg values spanning a very broad range from -25 to 94 °C. While variable temperature infrared spectroscopy combined to chemometrics reveals that, on average, around 60% of the NH groups are still H-bonded as high as 40 °C above Tg, critical cooling rates obtained by DSC clearly show that molecules without H-bond donating linkers also present an outstanding GFA, meaning that H bonding plays a dominant role in controlling Tg but is not required to prevent crystallization. It is a high interconversion energy barrier, provoking a distribution of rotamers, that most efficiently promotes both GFA and resistance to crystallization. These new insights pave the way to more efficient glass engineering by extending the possible range of accessible Tg, allowing in particular the preparation of homologous glass-formers with high GS at ambient temperature in either the viscous or vitreous state.

  5. Revisiting fine-tuning in the MSSM

    Energy Technology Data Exchange (ETDEWEB)

    Ross, Graham G. [Rudolf Peierls Centre for Theoretical Physics, University of Oxford, 1 Keble Road, Oxford OX1 3NP (United Kingdom); Schmidt-Hoberg, Kai [DESY, Notkestraße 85, D-22607 Hamburg (Germany); Staub, Florian [Institute for Theoretical Physics (ITP), Karlsruhe Institute of Technology, Engesserstraße 7, D-76128 Karlsruhe (Germany); Institute for Nuclear Physics (IKP), Karlsruhe Institute of Technology, Hermann-von-Helmholtz-Platz 1, D-76344 Eggenstein-Leopoldshafen (Germany)

    2017-03-06

    We evaluate the amount of fine-tuning in constrained versions of the minimal supersymmetric standard model (MSSM), with different boundary conditions at the GUT scale. Specifically we study the fully constrained version as well as the cases of non-universal Higgs and gaugino masses. We allow for the presence of additional non-holomorphic soft-terms which we show further relax the fine-tuning. Of particular importance is the possibility of a Higgsino mass term and we discuss possible origins for such a term in UV complete models. We point out that loop corrections typically lead to a reduction in the fine-tuning by a factor of about two compared to the estimate at tree-level, which has been overlooked in many recent works. Taking these loop corrections into account, we discuss the impact of current limits from SUSY searches and dark matter on the fine-tuning. Contrary to common lore, we find that the MSSM fine-tuning can be as small as 10 while remaining consistent with all experimental constraints. If, in addition, the dark matter abundance is fully explained by the neutralino LSP, the fine-tuning can still be as low as ∼20 in the presence of additional non-holomorphic soft-terms. We also discuss future prospects of these models and find that the MSSM will remain natural even in the case of a non-discovery in the foreseeable future.

  6. Revisiting fine-tuning in the MSSM

    Energy Technology Data Exchange (ETDEWEB)

    Ross, Graham G. [Oxford Univ. (United Kingdom). Rudolf Peierls Centre for Theoretical Physics; Schmidt-Hoberg, Kai [Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Staub, Florian [Karlsruher Institut fuer Technologie (KIT), Karlsruhe (Germany). Inst. fuer Theoretische Physik; Karlsruher Institut fuer Technologie (KIT), Eggenstein-Leopoldshafen (Germany). Inst. fuer Experimentelle Kernphysik

    2017-03-15

    We evaluate the amount of fine-tuning in constrained versions of the minimal supersymmetric standard model (MSSM), with different boundary conditions at the GUT scale. Specifically we study the fully constrained version as well as the cases of non-universal Higgs and gaugino masses. We allow for the presence of additional non-holomorphic soft-terms which we show further relax the fine-tuning. Of particular importance is the possibility of a Higgsino mass term and we discuss possible origins for such a term in UV complete models. We point out that loop corrections typically lead to a reduction in the fine-tuning by a factor of about two compared to the estimate at tree-level, which has been overlooked in many recent works. Taking these loop corrections into account, we discuss the impact of current limits from SUSY searches and dark matter on the fine-tuning. Contrary to common lore, we find that the MSSM fine-tuning can be as small as 10 while remaining consistent with all experimental constraints. If, in addition, the dark matter abundance is fully explained by the neutralino LSP, the fine-tuning can still be as low as ∝20 in the presence of additional non-holomorphic soft-terms. We also discuss future prospects of these models and find that the MSSM will remain natural even in the case of a non-discovery in the foreseeable future.

  7. Fine tuning and MOND in a metamaterial "multiverse".

    Science.gov (United States)

    Smolyaninov, Igor I; Smolyaninova, Vera N

    2017-08-14

    We consider the recently suggested model of a multiverse based on a ferrofluid. When the ferrofluid is subjected to a modest external magnetic field, the nanoparticles inside the ferrofluid form small hyperbolic metamaterial domains, which from the electromagnetic standpoint behave as individual "Minkowski universes" exhibiting different "laws of physics", such as different strength of effective gravity, different versions of modified Newtonian dynamics (MOND) and different radiation lifetimes. When the ferrofluid "multiverse" is populated with atomic or molecular species, and these species are excited using an external laser source, the radiation lifetimes of atoms and molecules in these "universes" depend strongly on the individual physical properties of each "universe" via the Purcell effect. Some "universes" are better fine-tuned than others to sustain the excited states of these species. Thus, the ferrofluid-based metamaterial "multiverse" may be used to study models of MOND and to illustrate the fine-tuning mechanism in cosmology.

  8. Pre - big bang inflation requires fine tuning

    Energy Technology Data Exchange (ETDEWEB)

    Turner, Michael S. [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States); Weinberg, Erick J. [Fermi National Accelerator Laboratory (FNAL), Batavia, IL (United States)

    1997-10-01

    The pre-big-bang cosmology inspired by superstring theories has been suggested as an alternative to slow-roll inflation. We analyze, in both the Jordan and Einstein frames, the effect of spatial curvature on this scenario and show that too much curvature --- of either sign --- reduces the duration of the inflationary era to such an extent that the flatness and horizon problems are not solved. Hence, a fine-tuning of initial conditions is required to obtain enough inflation to solve the cosmological problems.

  9. Fine tuning power diodes with irradiation

    International Nuclear Information System (INIS)

    Tarneja, K.S.; Bartko, J.; Johnson, J.E.

    1976-01-01

    Diodes of a particular type are fine tuned with irradiation to optimize the reverse recovery time while minimizing forward voltage drop and providing more uniform electrical characcteristics. The initial and desired minority carrier lifetimes in the anode region of the type are determined as a function of forward voltage drop and reverse recovery time, and the minority carrier radiation damage factor is determined for a desired type of diode and radiation source. The radiation dosage to achieve the desired carrier lifetime with the radiation source is thereafter determined from the function 1/tau = 1/tau 0 + K phi, where tau is the desired minority carrier lifetime, tau 0 is the initial minority carrier lifetime, K is the determined minority carrier radiation damage factor and phi is the radiation dosage. A major surface and preferably the major surface adjoining the anode region of the diodes is then irradiated with the radiation source to the determined radiation dosage. Preferably, the radiation dosage is between about 1 X 10 12 and 5 X 10 13 e/cm 2 , with electron radiation of intensity between 1 and 3 MeV

  10. Beyond Fine Tuning: Adding capacity to leverage few labels

    Energy Technology Data Exchange (ETDEWEB)

    Hodas, Nathan O.; Shaffer, Kyle J.; Yankov, Artem; Corley, Courtney D.; Anderson, Aryk L.

    2017-12-09

    In this paper we present a technique to train neural network models on small amounts of data. Current methods for training neural networks on small amounts of rich data typically rely on strategies such as fine-tuning a pre-trained neural networks or the use of domain-specific hand-engineered features. Here we take the approach of treating network layers, or entire networks, as modules and combine pre-trained modules with untrained modules, to learn the shift in distributions between data sets. The central impact of using a modular approach comes from adding new representations to a network, as opposed to replacing representations via fine-tuning. Using this technique, we are able surpass results using standard fine-tuning transfer learning approaches, and we are also able to significantly increase performance over such approaches when using smaller amounts of data.

  11. On the MSSM Higgsino mass and fine tuning

    CERN Document Server

    Ross, Graham G.

    2016-08-10

    It is often argued that low fine tuning in the MSSM necessarily requires a rather light Higgsino. In this note we show that this need not be the case when a more complete set of soft SUSY breaking mass terms are included. In particular an Higgsino mass term, that correlates the $\\mu-$term contribution with the soft SUSY-breaking Higgsino masses, significantly reduces the fine tuning even for Higgsinos in the TeV mass range where its relic abundance means it can make up all the dark matter.

  12. Technical fine-tuning problem in renormalized perturbation theory

    Energy Technology Data Exchange (ETDEWEB)

    Foda, O.E.

    1983-01-01

    The technical - as opposed to physical - fine tuning problem, i.e. the stability of tree-level gauge hierarchies at higher orders in renormalized perturbation theory, in a number of different models is studied. These include softly-broken supersymmetric models, and non-supersymmetric ones with a hierarchy of spontaneously-broken gauge symmetries. The models are renormalized using the BPHZ prescription, with momentum subtractions. Explicit calculations indicate that the tree-level hierarchy is not upset by the radiative corrections, and consequently no further fine-tuning is required to maintain it. Furthermore, this result is shown to run counter to that obtained via Dimensional Renormalization, (the only scheme used in previous literature on the subject). The discrepancy originates in the inherent local ambiguity in the finite parts of subtracted Feynman integrals. Within fully-renormalized perturbation theory the answer to the technical fine-tuning question (in the sense of whether the radiative corrections will ''readily'' respect the tree level gauge hierarchy or not) is contingent on the renormalization scheme used to define the model at the quantum level, rather than on the model itself. In other words, the need for fine-tuning, when it arises, is an artifact of the application of a certain class of renormalization schemes.

  13. Technical fine-tuning problem in renormalized perturbation theory

    International Nuclear Information System (INIS)

    Foda, O.E.

    1983-01-01

    The technical - as opposed to physical - fine tuning problem, i.e. the stability of tree-level gauge hierarchies at higher orders in renormalized perturbation theory, in a number of different models is studied. These include softly-broken supersymmetric models, and non-supersymmetric ones with a hierarchy of spontaneously-broken gauge symmetries. The models are renormalized using the BPHZ prescription, with momentum subtractions. Explicit calculations indicate that the tree-level hierarchy is not upset by the radiative corrections, and consequently no further fine-tuning is required to maintain it. Furthermore, this result is shown to run counter to that obtained via Dimensional Renormalization, (the only scheme used in previous literature on the subject). The discrepancy originates in the inherent local ambiguity in the finite parts of subtracted Feynman integrals. Within fully-renormalized perturbation theory the answer to the technical fine-tuning question (in the sense of whether the radiative corrections will ''readily'' respect the tree level gauge hierarchy or not) is contingent on the renormalization scheme used to define the model at the quantum level, rather than on the model itself. In other words, the need for fine-tuning, when it arises, is an artifact of the application of a certain class of renormalization schemes

  14. The Fine-Tuning of the Universe for Intelligent Life

    Science.gov (United States)

    Barnes, L. A.

    2012-06-01

    The fine-tuning of the universe for intelligent life has received a great deal of attention in recent years, both in the philosophical and scientific literature. The claim is that in the space of possible physical laws, parameters and initial conditions, the set that permits the evolution of intelligent life is very small. I present here a review of the scientific literature, outlining cases of fine-tuning in the classic works of Carter, Carr and Rees, and Barrow and Tipler, as well as more recent work. To sharpen the discussion, the role of the antagonist will be played by Victor Stenger's recent book The Fallacy of Fine-Tuning: Why the Universe is Not Designed for Us. Stenger claims that all known fine-tuning cases can be explained without the need for a multiverse. Many of Stenger's claims will be found to be highly problematic. We will touch on such issues as the logical necessity of the laws of nature; objectivity, invariance and symmetry; theoretical physics and possible universes; entropy in cosmology; cosmic inflation and initial conditions; galaxy formation; the cosmological constant; stars and their formation; the properties of elementary particles and their effect on chemistry and the macroscopic world; the origin of mass; grand unified theories; and the dimensionality of space and time. I also provide an assessment of the multiverse, noting the significant challenges that it must face. I do not attempt to defend any conclusion based on the fine-tuning of the universe for intelligent life. This paper can be viewed as a critique of Stenger's book, or read independently.

  15. NMC and the Fine-Tuning Problem on the Brane

    Directory of Open Access Journals (Sweden)

    A. Safsafi

    2014-01-01

    Full Text Available We propose a new solution to the fine-tuning problem related to coupling constant λ of the potential. We study a quartic potential of the form λϕ4 in the framework of the Randall-Sundrum type II braneworld model in the presence of a Higgs field which interacts nonminimally with gravity via a possible interaction term of the form -(ξ/2ϕ2R. Using the conformal transformation techniques, the slow-roll parameters in high energy limit are reformulated in the case of a nonminimally coupled scalar field. We show that, for some value of a coupling parameter ξ and brane tension T, we can eliminate the fine-tuning problem. Finally, we present graphically the solutions of several values of the free parameters of the model.

  16. Fine Tuning Mission to reach those influenced by Darwinism

    Directory of Open Access Journals (Sweden)

    Roger Tucker

    2014-01-01

    Full Text Available The scientifically aware section of the South African population is increasing. Many are being exposed to the concept of Darwinian evolution. Exposure has generated a religious sub �people group� who have problems with Christianity because they have been influenced by the naturalistic element in Darwinian philosophy. Christian antagonism towards evolution has often prejudiced them unfavourably towards the gospel. Recent discoveries concerning the fine-tuning of the universe have now presented a window of opportunity for overcoming this. It may enable the church to �fine-tune� its missionary approach to present them with the gospel in a more acceptable manner. It is suggested that Paul�s Areopagus speech provides a model for such cross-cultural evangelism. A section is included at the end, describing some objections that have been raised against the cosmological fine-tuning apologetic.

  17. Cosmologically safe QCD axion without fine-tuning

    International Nuclear Information System (INIS)

    Yamada, Masaki; Yanagida, Tsutomu T.; Yonekura, Kazuya

    2015-10-01

    Although QCD axion models are widely studied as solutions to the strong CP problem, they generically confront severe fine-tuning problems to guarantee the anomalous PQ symmetry. In this letter, we propose a simple QCD axion model without any fine-tunings. We introduce an extra dimension and a pair of extra quarks living on two branes separately, which is also charged under a bulk Abelian gauge symmetry. We assume a monopole condensation on our brane at an intermediate scale, which implies that the extra quarks develop the chiral symmetry breaking and the PQ symmetry is broken. In contrast to the original Kim's model, our model explains the origin of the PQ symmetry thanks to the extra dimension and avoids the cosmological domain wall problem because of the chiral symmetry breaking in the Abelian gauge theory.

  18. Light stops and fine-tuning in MSSM

    Energy Technology Data Exchange (ETDEWEB)

    Cici, Ali; Kirca, Zerrin; Uen, Cem Salih [Uludag Univ., Department of Physics, Bursa (Turkey)

    2018-01-15

    We discuss the fine-tuning issue within the MSSM framework. Following the idea that the fine-tuning can measure effects of some missing mechanism, we impose non-universal gaugino masses at the GUT scale, and explore the low scale implications. We realize that the fine-tuning parametrized with Δ{sub EW} can be as low as zero. We consider the stop mass with a special importance and focus on the mass scales as m{sub t} ≤ 700 GeV, which are excluded by the current experiments when the stop decays into a neutralino along with a top quark or a chargino along with a bottom quark. We find that the stop mass can be as low as about 250 GeV with Δ{sub EW} ∝ 50. We find that the solutions in this region can be excluded only up to 60% when stop decays into a neutralino-top quark, and 50% when it decays into a chargino-b quark. Setting 65% CL to be potential exclusion and 95% to be pure exclusion limit such solutions will be tested in near future experiments, which are conducted with higher luminosity. In addition to stop, the region with low fine-tuning and light stops predicts masses for the other supersymmetric particles such as m{sub b} >or similar 700 GeV, m{sub τ} >or similar 1 TeV, m{sub χ{sub 1}{sup {sub ±}}} >or similar 120 GeV. The details for the mass scales and decay rates are also provided by tables of benchmark points. (orig.)

  19. Light stops and fine-tuning in MSSM

    Science.gov (United States)

    Çiçi, Ali; Kırca, Zerrin; Ün, Cem Salih

    2018-01-01

    We discuss the fine-tuning issue within the MSSM framework. Following the idea that the fine-tuning can measure effects of some missing mechanism, we impose non-universal gaugino masses at the GUT scale, and explore the low scale implications. We realize that the fine-tuning parametrized with Δ _{EW} can be as low as zero. We consider the stop mass with a special importance and focus on the mass scales as m_{\\tilde{t}} ≤ 700 GeV, which are excluded by the current experiments when the stop decays into a neutralino along with a top quark or a chargino along with a bottom quark. We find that the stop mass can be as low as about 250 GeV with Δ _{EW} ˜ 50. We find that the solutions in this region can be exluded only up to 60% when stop decays into a neutralino-top quark, and 50% when it decays into a chargino-b quark. Setting 65% CL to be potential exclusion and 95% to be pure exclusion limit such solutions will be tested in near future experiments, which are conducted with higher luminosity. In addition to stop, the region with low fine-tuning and light stops predicts masses for the other supersymmetric particles such as m_{\\tilde{b}} ≳ 700 GeV, m_{\\tilde{τ }} ≳ 1 TeV, m_{\\tilde{χ }1^{± }} ≳ 120 GeV. The details for the mass scales and decay rates are also provided by tables of benchmark points.

  20. A precision study of the fine tuning in the DiracNMSSM

    International Nuclear Information System (INIS)

    Kaminska, Anna; Ross, Graham G.; Staub, Florian; Bonn Univ.

    2014-01-01

    Recently the DiracNMSSM has been proposed as a possible solution to reduce the fine tuning in supersymmetry. We determine the degree of fine tuning needed in the DiracNMSSM with and without non-universal gaugino masses and compare it with the fine tuning in the GNMSSM. To apply reasonable cuts on the allowed parameter regions we perform a precise calculation of the Higgs mass. In addition, we include the limits from direct SUSY searches and dark matter abundance. We find that both models are comparable in terms of fine tuning, with the minimal fine tuning in the GNMSSM slightly smaller.

  1. Soflty broken supersymmetry and the fine-tuning problem

    Energy Technology Data Exchange (ETDEWEB)

    Foda, O.E.

    1984-02-20

    The supersymmetry of the simple Wess-Zumino model is broken, in the tree-approximation, by adding all possible parity-even(mass)-dimension 2 and 3 terms. The model is then renormalized using BPHZ and the normal product algorithm, such that supersymmetry is only softly broken (in the original sense of Schroer and Symanzik). We show that, within the above renormalization scheme, none of the added breaking terms give rise to technical fine-tuning problems (defined in the sense of Gildener) in larger models, with scalar multiplets and hierarchy of mass scales, which is in contrast to what we obtain via analytic schemes such as dimensional renormalization, or supersymmetry extension of which. The discrepancy (which can be shown to persist in more general models) originates in the inherent local ambiguity in the finite parts of subtracted Feynman integrals. Emphasizing that the issue is purely technical (as opposed to physical) in origin, and that all physical properties are scheme-independent (as they should be), we conclude that the technical fine-tuning problem, in the specific sense used in this paper, being scheme dependent, is not a well-defined issue within the context of renormalized perturbation theory. 30 references.

  2. Soflty broken supersymmetry and the fine-tuning problem

    International Nuclear Information System (INIS)

    Foda, O.E.

    1984-01-01

    The supersymmetry of the simple Wess-Zumino model is broken, in the tree-approximation, by adding all possible parity-even[mass]-dimension 2 and 3 terms. The model is then renormalized using BPHZ and the normal product algorithm, such that supersymmetry is only softly broken (in the original sense of Schroer and Symanzik). We show that, within the above renormalization scheme, none of the added breaking terms give rise to technical fine-tuning problems (defined in the sense of Gildener) in larger models, with scalar multiplets and hierarchy of mass scales, which is in contrast to what we obtain via analytic schemes such as dimensional renormalization, or supersymmetry extension of which. The discrepancy (which can be shown to persist in more general models) originates in the inherent local ambiguity in the finite parts of subtracted Feynman integrals. Emphasizing that the issue is purely technical (as opposed to physical) in origin, and that all physical properties are scheme-independent (as they should be), we conclude that the technical fine-tuning problem, in the specific sense used in this paper, being scheme dependent, is not a well-defined issue within the context of renormalized perturbation theory. (orig.)

  3. Fine-tuning and the stability of recurrent neural networks.

    Directory of Open Access Journals (Sweden)

    David MacNeil

    Full Text Available A central criticism of standard theoretical approaches to constructing stable, recurrent model networks is that the synaptic connection weights need to be finely-tuned. This criticism is severe because proposed rules for learning these weights have been shown to have various limitations to their biological plausibility. Hence it is unlikely that such rules are used to continuously fine-tune the network in vivo. We describe a learning rule that is able to tune synaptic weights in a biologically plausible manner. We demonstrate and test this rule in the context of the oculomotor integrator, showing that only known neural signals are needed to tune the weights. We demonstrate that the rule appropriately accounts for a wide variety of experimental results, and is robust under several kinds of perturbation. Furthermore, we show that the rule is able to achieve stability as good as or better than that provided by the linearly optimal weights often used in recurrent models of the integrator. Finally, we discuss how this rule can be generalized to tune a wide variety of recurrent attractor networks, such as those found in head direction and path integration systems, suggesting that it may be used to tune a wide variety of stable neural systems.

  4. Hearing aid fine-tuning based on Dutch descriptions.

    Science.gov (United States)

    Thielemans, Thijs; Pans, Donné; Chenault, Michelene; Anteunis, Lucien

    2017-07-01

    The aim of this study was to derive an independent fitting assistant based on expert consensus. Two questions were asked: (1) what (Dutch) terms do hearing impaired listeners use nowadays to describe their specific hearing aid fitting problems? (2) What is the expert consensus on how to resolve these complaints by adjusting hearing aid parameters? Hearing aid dispensers provided descriptors that impaired listeners use to describe their reactions to specific hearing aid fitting problems. Hearing aid fitting experts were asked "How would you adjust the hearing aid if its user reports that the aid sounds…?" with the blank filled with each of the 40 most frequently mentioned descriptors. 112 hearing aid dispensers and 15 hearing aid experts. The expert solution with the highest weight value was considered the best solution for that descriptor. Principal component analysis (PCA) was performed to identify a factor structure in fitting problems. Nine fitting problems could be identified resulting in an expert-based, hearing aid manufacturer independent, fine-tuning fitting assistant for clinical use. The construction of an expert-based, hearing aid manufacturer independent, fine-tuning fitting assistant to be used as an additional tool in the iterative fitting process is feasible.

  5. Modern Cosmology and Anthropic Fine-Tuning: Three approaches

    Science.gov (United States)

    Collins, Robin

    The anthropic fine-tuning of the cosmos refers to the claim that the laws of nature, the constants of physics, and the initial conditions of the universe must be set to an enormous degree of precision for embodied conscious agents to exist. Three major responses have been offered to this fine-tuning: the multiverse explanation; theism; and the claim that it is just a brute fact that requires no further explanation. In this chapter, I will consider each explanation in turn, and provide some novel arguments for the superiority of a theistic or related explanation. In the last section, I will show how whether or not one adopts a theistic or related explanation can significantly influence what features of the universe one considers in need of further scientific explanation, and the type of scientific explanation that one should find satisfactory. In particular, I will argue that in some cases atheism, not theism, serves as a science stopper in discouraging a search for deeper scientific explanations of phenomena.

  6. Relaxion cosmology and the price of fine-tuning

    Science.gov (United States)

    Di Chiara, Stefano; Kannike, Kristjan; Marzola, Luca; Racioppi, Antonio; Raidal, Martti; Spethmann, Christian

    2016-05-01

    The relaxion scenario presents an intriguing extension of the standard model in which the particle introduced to solve to the strong C P problem, the axion, also achieves the dynamical relaxation of the Higgs boson mass term. In this work we complete this framework by proposing a scenario of inflationary cosmology that is consistent with all the observational constraints: the relaxion hybrid inflation with an asymmetric waterfall. In our scheme, the vacuum energy of the inflaton drives inflation in a natural way while the relaxion slow rolls. The constraints on the present inflationary observables are then matched through a subsequent inflationary epoch driven by the inflaton. We quantify the amount of fine-tuning of the proposed inflation scenario, concluding that the inflaton sector severely decreases the naturalness of the theory.

  7. Myosin phosphatase Fine-tunes Zebrafish Motoneuron Position during Axonogenesis.

    Directory of Open Access Journals (Sweden)

    Juliane Bremer

    2016-11-01

    Full Text Available During embryogenesis the spinal cord shifts position along the anterior-posterior axis relative to adjacent tissues. How motor neurons whose cell bodies are located in the spinal cord while their axons reside in adjacent tissues compensate for such tissue shift is not well understood. Using live cell imaging in zebrafish, we show that as motor axons exit from the spinal cord and extend through extracellular matrix produced by adjacent notochord cells, these cells shift several cell diameters caudally. Despite this pronounced shift, individual motoneuron cell bodies stay aligned with their extending axons. We find that this alignment requires myosin phosphatase activity within motoneurons, and that mutations in the myosin phosphatase subunit mypt1 increase myosin phosphorylation causing a displacement between motoneuron cell bodies and their axons. Thus, we demonstrate that spinal motoneurons fine-tune their position during axonogenesis and we identify the myosin II regulatory network as a key regulator.

  8. A fortunate universe life in a finely tuned cosmos

    CERN Document Server

    Lewis, Geraint F

    2016-01-01

    Over the last forty years, scientists have uncovered evidence that if the Universe had been forged with even slightly different properties, life as we know it - and life as we can imagine it - would be impossible. Join us on a journey through how we understand the Universe, from its most basic particles and forces, to planets, stars and galaxies, and back through cosmic history to the birth of the cosmos. Conflicting notions about our place in the Universe are defined, defended and critiqued from scientific, philosophical and religious viewpoints. The authors' engaging and witty style addresses what fine-tuning might mean for the future of physics and the search for the ultimate laws of nature. Tackling difficult questions and providing thought-provoking answers, this volumes challenges us to consider our place in the cosmos, regardless of our initial convictions.

  9. Mechanisms of input and output synaptic specificity: finding partners, building synapses, and fine-tuning communication.

    Science.gov (United States)

    Rawson, Randi L; Martin, E Anne; Williams, Megan E

    2017-08-01

    For most neurons to function properly, they need to develop synaptic specificity. This requires finding specific partner neurons, building the correct types of synapses, and fine-tuning these synapses in response to neural activity. Synaptic specificity is common at both a neuron's input and output synapses, whereby unique synapses are built depending on the partnering neuron. Neuroscientists have long appreciated the remarkable specificity of neural circuits but identifying molecular mechanisms mediating synaptic specificity has only recently accelerated. Here, we focus on recent progress in understanding input and output synaptic specificity in the mammalian brain. We review newly identified circuit examples for both and the latest research identifying molecular mediators including Kirrel3, FGFs, and DGLα. Lastly, we expect the pace of research on input and output specificity to continue to accelerate with the advent of new technologies in genomics, microscopy, and proteomics. Copyright © 2017 Elsevier Ltd. All rights reserved.

  10. Pentagone internalises glypicans to fine-tune multiple signalling pathways

    Science.gov (United States)

    Norman, Mark; Vuilleumier, Robin; Springhorn, Alexander; Gawlik, Jennifer; Pyrowolakis, George

    2016-01-01

    Tight regulation of signalling activity is crucial for proper tissue patterning and growth. Here we investigate the function of Pentagone (Pent), a secreted protein that acts in a regulatory feedback during establishment and maintenance of BMP/Dpp morphogen signalling during Drosophila wing development. We show that Pent internalises the Dpp co-receptors, the glypicans Dally and Dally-like protein (Dlp), and propose that this internalisation is important in the establishment of a long range Dpp gradient. Pent-induced endocytosis and degradation of glypicans requires dynamin- and Rab5, but not clathrin or active BMP signalling. Thus, Pent modifies the ability of cells to trap and transduce BMP by fine-tuning the levels of the BMP reception system at the plasma membrane. In addition, and in accordance with the role of glypicans in multiple signalling pathways, we establish a requirement of Pent for Wg signalling. Our data propose a novel mechanism by which morphogen signalling is regulated. DOI: http://dx.doi.org/10.7554/eLife.13301.001 PMID:27269283

  11. Precision tests and fine tuning in twin Higgs models

    Science.gov (United States)

    Contino, Roberto; Greco, Davide; Mahbubani, Rakhi; Rattazzi, Riccardo; Torre, Riccardo

    2017-11-01

    We analyze the parametric structure of twin Higgs (TH) theories and assess the gain in fine tuning which they enable compared to extensions of the standard model with colored top partners. Estimates show that, at least in the simplest realizations of the TH idea, the separation between the mass of new colored particles and the electroweak scale is controlled by the coupling strength of the underlying UV theory, and that a parametric gain is achieved only for strongly-coupled dynamics. Motivated by this consideration we focus on one of these simple realizations, namely composite TH theories, and study how well such constructions can reproduce electroweak precision data. The most important effect of the twin states is found to be the infrared contribution to the Higgs quartic coupling, while direct corrections to electroweak observables are subleading and negligible. We perform a careful fit to the electroweak data including the leading-logarithmic corrections to the Higgs quartic up to three loops. Our analysis shows that agreement with electroweak precision tests can be achieved with only a moderate amount of tuning, in the range 5%-10%, in theories where colored states have mass of order 3-5 TeV and are thus out of reach of the LHC. For these levels of tuning, larger masses are excluded by a perturbativity bound, which makes these theories possibly discoverable, hence falsifiable, at a future 100 TeV collider.

  12. How do arbuscular mycorrhizal fungi handle phosphate? New insight into fine-tuning of phosphate metabolism.

    Science.gov (United States)

    Ezawa, Tatsuhiro; Saito, Katsuharu

    2018-04-27

    Contents Summary I. Introduction II. Foraging for phosphate III. Fine-tuning of phosphate homeostasis IV. The frontiers: phosphate translocation and export V. Conclusions and outlook Acknowledgements References SUMMARY: Arbuscular mycorrhizal fungi form symbiotic associations with most land plants and deliver mineral nutrients, in particular phosphate, to the host. Therefore, understanding the mechanisms of phosphate acquisition and delivery in the fungi is critical for full appreciation of the mutualism in this association. Here, we provide updates on physical, chemical, and biological strategies of the fungi for phosphate acquisition, including interactions with phosphate-solubilizing bacteria, and those on the regulatory mechanisms of phosphate homeostasis based on resurveys of published genome sequences and a transcriptome with reference to the latest findings in a model fungus. For the mechanisms underlying phosphate translocation and export to the host, which are major research frontiers in this field, not only recent advances but also testable hypotheses are proposed. Lastly, we briefly discuss applicability of the latest tools to gene silencing in the fungi, which will be breakthrough techniques for comprehensive understanding of the molecular basis of fungal phosphate metabolism. © 2018 The Authors. New Phytologist © 2018 New Phytologist Trust.

  13. Implications for new physics from fine-tuning arguments: II. Little Higgs models

    International Nuclear Information System (INIS)

    Casas, J.A.; Espinosa, J.R.; Hidalgo, I.

    2005-01-01

    We examine the fine-tuning associated to electroweak breaking in Little Higgs scenarios and find it to be always substantial and, generically, much higher than suggested by the rough estimates usually made. This is due to implicit tunings between parameters that can be overlooked at first glance but show up in a more systematic analysis. Focusing on four popular and representative Little Higgs scenarios, we find that the fine-tuning is essentially comparable to that of the Little Hierarchy problem of the Standard Model (which these scenarios attempt to solve) and higher than in supersymmetric models. This does not demonstrate that all Little Higgs models are fine-tuned, but stresses the need of a careful analysis of this issue in model-building before claiming that a particular model is not fine-tuned. In this respect we identify the main sources of potential fine-tuning that should be watched out for, in order to construct a successful Little Higgs model, which seems to be a non-trivial goal. (author)

  14. Testing SUSY at the LHC: Electroweak and Dark matter fine tuning at two-loop order

    CERN Document Server

    Cassel, S; Ross, G G

    2010-01-01

    In the framework of the Constrained Minimal Supersymmetric Standard Model (CMSSM) we evaluate the electroweak fine tuning measure that provides a quantitative test of supersymmetry as a solution to the hierarchy problem. Taking account of current experimental constraints we compute the fine tuning at two-loop order and determine the limits on the CMSSM parameter space and the measurements at the LHC most relevant in covering it. Without imposing the LEPII bound on the Higgs mass, it is shown that the fine tuning computed at two-loop has a minimum $\\Delta=8.8$ corresponding to a Higgs mass $m_h=114\\pm 2$ GeV. Adding the constraint that the SUSY dark matter relic density should be within present bounds we find $\\Delta=15$ corresponding to $m_h=114.7\\pm 2$ GeV and this rises to $\\Delta=17.8$ ($m_h=115.9\\pm 2$ GeV) for SUSY dark matter abundance within 3$\\sigma$ of the WMAP constraint. We extend the analysis to include the contribution of dark matter fine tuning. In this case the overall fine tuning and Higgs mas...

  15. Reducing the fine-tuning of gauge-mediated SUSY breaking

    Energy Technology Data Exchange (ETDEWEB)

    Casas, J.A.; Moreno, Jesus M. [Universidad Autonoma de Madrid, Instituto de Fisica Teorica, IFT-UAM/CSIC, Madrid (Spain); Robles, Sandra [Universidad Autonoma de Madrid, Instituto de Fisica Teorica, IFT-UAM/CSIC, Madrid (Spain); Universidad Autonoma de Madrid, Departamento de Fisica Teorica, Madrid (Spain); Rolbiecki, Krzysztof [Universidad Autonoma de Madrid, Instituto de Fisica Teorica, IFT-UAM/CSIC, Madrid (Spain); University of Warsaw, Faculty of Physics, Warsaw (Poland)

    2016-08-15

    Despite their appealing features, models with gauge-mediated supersymmetry breaking (GMSB) typically present a high degree of fine-tuning, due to the initial absence of the top trilinear scalar couplings, A{sub t} = 0. In this paper, we carefully evaluate such a tuning, showing that is worse than per mil in the minimal model. Then, we examine some existing proposals to generate A{sub t} ≠ 0 term in this context. We find that, although the stops can be made lighter, usually the tuning does not improve (it may be even worse), with some exceptions, which involve the generation of A{sub t} at one loop or tree level. We examine both possibilities and propose a conceptually simplified version of the latter; which is arguably the optimum GMSB setup (with minimal matter content), concerning the fine-tuning issue. The resulting fine-tuning is better than one per mil, still severe but similar to other minimal supersymmetric standard model constructions. We also explore the so-called ''little A{sub t}{sup 2}/m{sup 2} problem'', i.e. the fact that a large A{sub t}-term is normally accompanied by a similar or larger sfermion mass, which typically implies an increase in the fine-tuning. Finally, we find the version of GMSB for which this ratio is optimized, which, nevertheless, does not minimize the fine-tuning. (orig.)

  16. Can an Eternal Life Start From the Minimal Fine-Tuning for Intelligence?

    Directory of Open Access Journals (Sweden)

    Ward Blondé

    2016-10-01

    Full Text Available Since modern physicists made more and more advances in precisely measuring the fundamental constants in nature, cosmologists have been confronted with this problem: how do we declare that nature’s constants are fine-tuned for the emergence of life? Many cosmologists assume nowadays that the big bang universe originates from a multiverse that consists of very many universes. Some of these must be fine-tuned for life. A fascinating question arises: Would there be any chance on a life after our death in this multiverse? In this paper, I show two things about the multiverse. First, universes in the multiverse acquire an unlimited amount of additional fine-tuning for intelligent life over the course of many universe generations. Such additional fine-tuning may consist of travelling between universes and an afterlife on a distant planet. Second, evolutionary conservation in the evolution of universes in the multiverse provides a declaration why we observe a universe that roughly has the minimal fine-tuning to support intelligent life.

  17. Implications for new physics from fine-tuning arguments 1. Application to SUSY and seesaw cases

    International Nuclear Information System (INIS)

    Alberto Casas, J.; Hidalgo, Irene; Espinosa, Jose R.

    2004-01-01

    We revisit the standard argument to estimate the scale of new physics (NP) beyond the SM, based on the sensitivity of the Higgs mass to quadratic divergences. Although this argument is arguably naive, the corresponding estimate, Λ SM SM . One can obtain more precise implications from fine-tuning arguments in specific examples of NP. Here we consider SUSY and right-handed (seesaw) neutrinos. SUSY is a typical example for which the previous general estimate is indeed conservative: the MSSM is fine-tuned a few %, even for soft masses of a few hundred GeV. In contrast, other SUSY scenarios, in particular those with low-scale SUSY breaking, can easily saturate the general bound on Λ SM . The seesaw mechanism requires large fine-tuning if M R > or approx.10 7 GeV, unless there is additional NP (SUSY being a favourite option). (author)

  18. Focus point in gaugino mediation — Reconsideration of the fine-tuning problem

    Energy Technology Data Exchange (ETDEWEB)

    Yanagida, Tsutomu T.; Yokozaki, Norimi, E-mail: n.yokozaki@gmail.com

    2013-05-24

    We reconsider the fine-tuning problem in SUSY models, motivated by the recent observation of the relatively heavy Higgs boson and non-observation of the SUSY particles at the LHC. Based on this thought, we demonstrate a focus point-like behavior in a gaugino mediation model, and show that the fine-tuning is indeed reduced to about 2% level if the ratio of the gluino mass to wino mass is about 0.4 at the GUT scale. We show that such a mass ratio may arise naturally in a product group unification model without the doublet–triplet splitting problem. This fact suggests that the fine-tuning problem crucially depends on the physics at the high energy scale.

  19. RF MEMS suspended band-stop resonator and filter for frequency and bandwidth continuous fine tuning

    International Nuclear Information System (INIS)

    Jang, Yun-Ho; Kim, Yong-Kweon; Llamas-Garro, Ignacio; Kim, Jung-Mu

    2012-01-01

    We firstly propose the concept of a frequency and bandwidth fine-tuning method using an RF MEMS-based suspended tunable band-stop resonator. We experimentally show the feasibility of the continuously tuned resonator, including a second-order filter, which consists of cascaded resonators to achieve center frequency and bandwidth fine tuning. The structure consists of a freestanding half-wavelength (λ/2) resonator connected to a large displacement comb actuator. The lateral movement of the λ/2 resonator over the main transmission line produces different electromagnetic decoupling values from the main transmission line. The decoupled energy leads to continuous center frequency and bandwidth tuning using the band-stop resonator circuit for fine-tuning applications. The freestanding λ/2 resonator plays the role of a variable capacitor as well as a decoupling resonator in the proposed structure. The fabricated tunable filter shows suitability for Ku-band wireless communication system applications with continuous reconfiguration

  20. The fine-tuning cost of the likelihood in SUSY models

    International Nuclear Information System (INIS)

    Ghilencea, D.M.; Ross, G.G.

    2013-01-01

    In SUSY models, the fine-tuning of the electroweak (EW) scale with respect to their parameters γ i ={m 0 ,m 1/2 ,μ 0 ,A 0 ,B 0 ,…} and the maximal likelihood L to fit the experimental data are usually regarded as two different problems. We show that, if one regards the EW minimum conditions as constraints that fix the EW scale, this commonly held view is not correct and that the likelihood contains all the information about fine-tuning. In this case we show that the corrected likelihood is equal to the ratio L/Δ of the usual likelihood L and the traditional fine-tuning measure Δ of the EW scale. A similar result is obtained for the integrated likelihood over the set {γ i }, that can be written as a surface integral of the ratio L/Δ, with the surface in γ i space determined by the EW minimum constraints. As a result, a large likelihood actually demands a large ratio L/Δ or equivalently, a small χ new 2 =χ old 2 +2lnΔ. This shows the fine-tuning cost to the likelihood (χ new 2 ) of the EW scale stability enforced by SUSY, that is ignored in data fits. A good χ new 2 /d.o.f.≈1 thus demands SUSY models have a fine-tuning amount Δ≪exp(d.o.f./2), which provides a model-independent criterion for acceptable fine-tuning. If this criterion is not met, one can thus rule out SUSY models without a further χ 2 /d.o.f. analysis. Numerical methods to fit the data can easily be adapted to account for this effect.

  1. Fine-tuning problem in renormalized perturbation theory: Spontaneously-broken gauge models

    Energy Technology Data Exchange (ETDEWEB)

    Foda, O.E. (Purdue Univ., Lafayette, IN (USA). Dept. of Physics)

    1983-04-28

    We study the stability of tree-level gauge hierarchies at higher orders in renormalized perturbation theory, in a model with spontaneously-broken gauge symmetries. We confirm previous results indicating that if the model is renormalized using BPHZ, then the tree-level hierarchy is not upset by the radiative corrections. Consequently, no fine-tuning of the initial parameters is required to maintain it, in contrast to the result obtained using Dimensional Renormalization. This verifies the conclusion that the need for fine-tuning, when it arises, is an artifact of the application of a certain class of renormalization schemes.

  2. The fine-tuning problem in renormalized perturbation theory: Spontaneously-broken gauge models

    International Nuclear Information System (INIS)

    Foda, O.E.

    1983-01-01

    We study the stability of tree-level gauge hierarchies at higher orders in renormalized perturbation theory, in a model with spontaneously-broken gauge symmetries. We confirm previous results indicating that if the model is renormalized using BPHZ, then the tree-level hierarchy is not upset by the radiative corrections. Consequently, no fine-tuning of the initial parameters is required to maintain it, in contrast to the result obtained using Dimensional Renormalization. This verifies the conclusion that the need for fine-tuning, when it arises, is an artifact of the application of a certain class of renormalization schemes. (orig.)

  3. Understanding molecular motor walking along a microtubule: a themosensitive asymmetric Brownian motor driven by bubble formation.

    Science.gov (United States)

    Arai, Noriyoshi; Yasuoka, Kenji; Koishi, Takahiro; Ebisuzaki, Toshikazu; Zeng, Xiao Cheng

    2013-06-12

    The "asymmetric Brownian ratchet model", a variation of Feynman's ratchet and pawl system, is invoked to understand the kinesin walking behavior along a microtubule. The model system, consisting of a motor and a rail, can exhibit two distinct binding states, namely, the random Brownian state and the asymmetric potential state. When the system is transformed back and forth between the two states, the motor can be driven to "walk" in one direction. Previously, we suggested a fundamental mechanism, that is, bubble formation in a nanosized channel surrounded by hydrophobic atoms, to explain the transition between the two states. In this study, we propose a more realistic and viable switching method in our computer simulation of molecular motor walking. Specifically, we propose a thermosensitive polymer model with which the transition between the two states can be controlled by temperature pulses. Based on this new motor system, the stepping size and stepping time of the motor can be recorded. Remarkably, the "walking" behavior observed in the newly proposed model resembles that of the realistic motor protein. The bubble formation based motor not only can be highly efficient but also offers new insights into the physical mechanism of realistic biomolecule motors.

  4. The fine-tuning cost of the likelihood in SUSY models

    CERN Document Server

    Ghilencea, D M

    2013-01-01

    In SUSY models, the fine tuning of the electroweak (EW) scale with respect to their parameters gamma_i={m_0, m_{1/2}, mu_0, A_0, B_0,...} and the maximal likelihood L to fit the experimental data are usually regarded as two different problems. We show that, if one regards the EW minimum conditions as constraints that fix the EW scale, this commonly held view is not correct and that the likelihood contains all the information about fine-tuning. In this case we show that the corrected likelihood is equal to the ratio L/Delta of the usual likelihood L and the traditional fine tuning measure Delta of the EW scale. A similar result is obtained for the integrated likelihood over the set {gamma_i}, that can be written as a surface integral of the ratio L/Delta, with the surface in gamma_i space determined by the EW minimum constraints. As a result, a large likelihood actually demands a large ratio L/Delta or equivalently, a small chi^2_{new}=chi^2_{old}+2*ln(Delta). This shows the fine-tuning cost to the likelihood ...

  5. Paediatric frontal chest radiograph screening with fine-tuned convolutional neural networks

    CSIR Research Space (South Africa)

    Gerrand, Jonathan D

    2017-07-01

    Full Text Available of fine-tuned convolutional neural networks (CNN). We use two popular CNN models that are pre-trained on a large natural image dataset and two distinct datasets containing paediatric and adult radiographs respectively. Evaluation is performed using a 5...

  6. A systematic approach for fine-tuning of fuzzy controllers applied to WWTPs

    DEFF Research Database (Denmark)

    Ruano, M.V.; Ribes, J.; Sin, Gürkan

    2010-01-01

    A systematic approach for fine-tuning fuzzy controllers has been developed and evaluated for an aeration control system implemented in a WWTR The challenge with the application of fuzzy controllers to WWTPs is simply that they contain many parameters, which need to be adjusted for different WWTP ...

  7. The microRNA-132/212 family fine-tunes multiple targets in Angiotensin II signalling in cardiac fibroblasts

    DEFF Research Database (Denmark)

    Eskildsen, Tilde V; Schneider, Mikael; Sandberg, Maria B

    2015-01-01

    INTRODUCTION: MicroRNAs (miRNAs) are emerging as key regulators of cardiovascular development and disease; however, the cardiac miRNA target molecules are not well understood. We and others have described the Angiotensin II (AngII)-induced miR-132/212 family as novel regulators of cardiovascular...... in silico and in vitro experiments to identify miR-132/212 molecular targets in primary rat cardiac fibroblasts. RESULTS: MiR-132/212 overexpression increased fibroblast cell size and mRNA arrays detected several hundred genes that were differentially expressed, including a wide panel of receptors...... pathways that fine-tuned by miR-132/212, suggesting a role for this miRNA family as master signalling switches in cardiac fibroblasts. Our data underscore the potential for miRNA tools to manipulate a large array of molecules and thereby control biological function....

  8. Fine tuning of work practices of common radiological investigations performed using computed radiography system

    International Nuclear Information System (INIS)

    Livingstone, Roshan S.; Timothy Peace, B.S.; Sunny, S.; Victor Raj, D.

    2007-01-01

    Introduction: The advent of the computed radiography (CR) has brought about remarkable changes in the field of diagnostic radiology. A relatively large cross-section of the human population is exposed to ionizing radiation on account of common radiological investigations. This study is intended to audit radiation doses imparted to patients during common radiological investigations involving the use of CR systems. Method: The entrance surface doses (ESD) were measured using thermoluminescent dosimeters (TLD) for various radiological investigations performed using the computed radiography (CR) systems. Optimization of radiographic techniques and radiation doses was done by fine tuning the work practices. Results and conclusion: Reduction of radiation doses as high as 47% was achieved during certain investigations with the use of optimized exposure factors and fine-tuned work practices

  9. Fine-Tuning Neural Patient Question Retrieval Model with Generative Adversarial Networks.

    Science.gov (United States)

    Tang, Guoyu; Ni, Yuan; Wang, Keqiang; Yong, Qin

    2018-01-01

    The online patient question and answering (Q&A) system attracts an increasing amount of users in China. Patient will post their questions and wait for doctors' response. To avoid the lag time involved with the waiting and to reduce the workload on the doctors, a better method is to automatically retrieve the semantically equivalent question from the archive. We present a Generative Adversarial Networks (GAN) based approach to automatically retrieve patient question. We apply supervised deep learning based approaches to determine the similarity between patient questions. Then a GAN framework is used to fine-tune the pre-trained deep learning models. The experiment results show that fine-tuning by GAN can improve the performance.

  10. MSSM fine tuning problem and dynamical suppression of the Higgs mass parameters

    International Nuclear Information System (INIS)

    Kobayashi, Tatsuo; Terao, Haruhiko

    2004-01-01

    There have been several proposals for extension of the MSSM so as to ameliorate the fine tuning problem, which may be classified roughly into two categories; scenarios with enhanced quartic Higgs couplings and scenarios with radiatively stable Higgs soft masses. After a brief remark on some generic aspects of these approaches, we show a scenario with use of superconformal dynamics suppressing the Higgs mass parameters. (author)

  11. MSSM fine tuning problem and dynamical suppression of the Higgs mass parameters

    Energy Technology Data Exchange (ETDEWEB)

    Kobayashi, Tatsuo [Kyoto Univ., Dept. of Physics, Kyoto (Japan); Terao, Haruhiko [Kanazawa Univ., Institute for Theoretical Physics, Kanazawa, Ishikawa (Japan)

    2004-12-01

    There have been several proposals for extension of the MSSM so as to ameliorate the fine tuning problem, which may be classified roughly into two categories; scenarios with enhanced quartic Higgs couplings and scenarios with radiatively stable Higgs soft masses. After a brief remark on some generic aspects of these approaches, we show a scenario with use of superconformal dynamics suppressing the Higgs mass parameters. (author)

  12. Convolutional Neural Networks for Medical Image Analysis: Full Training or Fine Tuning?

    OpenAIRE

    Tajbakhsh, Nima; Shin, Jae Y.; Gurudu, Suryakanth R.; Hurst, R. Todd; Kendall, Christopher B.; Gotway, Michael B.; Liang, Jianming

    2017-01-01

    Training a deep convolutional neural network (CNN) from scratch is difficult because it requires a large amount of labeled training data and a great deal of expertise to ensure proper convergence. A promising alternative is to fine-tune a CNN that has been pre-trained using, for instance, a large set of labeled natural images. However, the substantial differences between natural and medical images may advise against such knowledge transfer. In this paper, we seek to answer the following centr...

  13. Scalar sector extensions and the Higgs mass fine-tuning problem

    International Nuclear Information System (INIS)

    Chakraborty, Indrani

    2014-01-01

    One of the ways to address the fine-tuning problem in the Standard Model is to assume the existence of some symmetry which keeps the quantum corrections to the Higgs mass to a manageable level. This condition, known after Veltman who first propounded it, is unfortunately not satisfied in the SM, given that we know all the masses. We discuss how one can get back the Veltman Condition if one or more gauge singlet scalars are introduced in the model. We show that the most favored solution is the case where the singlet scalar does not mix with the SM doublet, and thus can act as a viable cold dark matter candidate. Furthermore, the fine-tuning problem of the new scalars necessitates the introduction of vector like fermions. Thus, singlet scalar(s) and vector fermions are minimal enhancements over the Standard Model to alleviate the fine-tuning problem. We also show that the model predicts Landau poles for all the scalar couplings, whose positions depend only on the number of such singlets. Thus, introduction of some new physics at that scale becomes inevitable. We also discuss how the model confronts the LHC constraints and the latest XENON100 data. Some more such extensions, with higher scalar multiplets, are also discussed. (author)

  14. Improving the Fine-Tuning of Metaheuristics: An Approach Combining Design of Experiments and Racing Algorithms

    Directory of Open Access Journals (Sweden)

    Eduardo Batista de Moraes Barbosa

    2017-01-01

    Full Text Available Usually, metaheuristic algorithms are adapted to a large set of problems by applying few modifications on parameters for each specific case. However, this flexibility demands a huge effort to correctly tune such parameters. Therefore, the tuning of metaheuristics arises as one of the most important challenges in the context of research of these algorithms. Thus, this paper aims to present a methodology combining Statistical and Artificial Intelligence methods in the fine-tuning of metaheuristics. The key idea is a heuristic method, called Heuristic Oriented Racing Algorithm (HORA, which explores a search space of parameters looking for candidate configurations close to a promising alternative. To confirm the validity of this approach, we present a case study for fine-tuning two distinct metaheuristics: Simulated Annealing (SA and Genetic Algorithm (GA, in order to solve the classical traveling salesman problem. The results are compared considering the same metaheuristics tuned through a racing method. Broadly, the proposed approach proved to be effective in terms of the overall time of the tuning process. Our results reveal that metaheuristics tuned by means of HORA achieve, with much less computational effort, similar results compared to the case when they are tuned by the other fine-tuning approach.

  15. Fine-Tuning on the Effective Patch Radius Expression of the Circular Microstrip Patch Antennas

    Directory of Open Access Journals (Sweden)

    A. E. Yilmaz

    2010-09-01

    Full Text Available In this study, the effective patch radius expression for the circular microstrip antennas is improved by means of several manipulations. Departing from previously proposed equations in the literature, one of the most accurate equations is picked up, and this equation is fine-tuned by means of Particle Swarm Optimization technique. Throughout the study, impacts of other parameters (such as the definition of the fitness/objective function, the degree-of-freedom in the proposed effective patch radius expression, the number of measured resonant frequency values are observed in a controlled manner. Finally, about 3% additional improvement is achieved over a very accurate formula, which was proposed earlier.

  16. Quantum Big Bang without fine-tuning in a toy-model

    International Nuclear Information System (INIS)

    Znojil, Miloslav

    2012-01-01

    The question of possible physics before Big Bang (or after Big Crunch) is addressed via a schematic non-covariant simulation of the loss of observability of the Universe. Our model is drastically simplified by the reduction of its degrees of freedom to the mere finite number. The Hilbert space of states is then allowed time-dependent and singular at the critical time t = t c . This option circumvents several traditional theoretical difficulties in a way illustrated via solvable examples. In particular, the unitary evolution of our toy-model quantum Universe is shown interruptible, without any fine-tuning, at the instant of its bang or collapse t = t c .

  17. Quantum Big Bang without fine-tuning in a toy-model

    Science.gov (United States)

    Znojil, Miloslav

    2012-02-01

    The question of possible physics before Big Bang (or after Big Crunch) is addressed via a schematic non-covariant simulation of the loss of observability of the Universe. Our model is drastically simplified by the reduction of its degrees of freedom to the mere finite number. The Hilbert space of states is then allowed time-dependent and singular at the critical time t = tc. This option circumvents several traditional theoretical difficulties in a way illustrated via solvable examples. In particular, the unitary evolution of our toy-model quantum Universe is shown interruptible, without any fine-tuning, at the instant of its bang or collapse t = tc.

  18. On the fine-tuning problem in minimal SO(10) SUSY-GUT

    International Nuclear Information System (INIS)

    Hempfling, R.

    1994-05-01

    In grand unified theories (GUT) based on SO(10) all fermions of one generation are embedded in a single representation. As a result, the top quark, the bottom quark, and the τ lepton have the same Yukawa coupling at the GUT scale. This implies a very large ratio of Higgs vacuum expectation values, tanβ≅m t /m b . In this letter we show that GUT threshold correction to the universal Higgs mass parameter can solve the fine-tuning problem associated with such large values of tan β. (orig.)

  19. Rate of hydrolysis in ATP synthase is fine-tuned by  -subunit motif controlling active site conformation

    KAUST Repository

    Beke-Somfai, T.; Lincoln, P.; Norden, B.

    2013-01-01

    Computer-designed artificial enzymes will require precise understanding of how conformation of active sites may control barrier heights of key transition states, including dependence on structure and dynamics at larger molecular scale. F(o)F(1) ATP synthase is interesting as a model system: a delicate molecular machine synthesizing or hydrolyzing ATP using a rotary motor. Isolated F(1) performs hydrolysis with a rate very sensitive to ATP concentration. Experimental and theoretical results show that, at low ATP concentrations, ATP is slowly hydrolyzed in the so-called tight binding site, whereas at higher concentrations, the binding of additional ATP molecules induces rotation of the central γ-subunit, thereby forcing the site to transform through subtle conformational changes into a loose binding site in which hydrolysis occurs faster. How the 1-Å-scale rearrangements are controlled is not yet fully understood. By a combination of theoretical approaches, we address how large macromolecular rearrangements may manipulate the active site and how the reaction rate changes with active site conformation. Simulations reveal that, in response to γ-subunit position, the active site conformation is fine-tuned mainly by small α-subunit changes. Quantum mechanics-based results confirm that the sub-Ångström gradual changes between tight and loose binding site structures dramatically alter the hydrolysis rate.

  20. Auto-Regulatory RNA Editing Fine-Tunes mRNA Re-Coding and Complex Behaviour in Drosophila

    Science.gov (United States)

    Savva, Yiannis A.; Jepson, James E.C; Sahin, Asli; Sugden, Arthur U.; Dorsky, Jacquelyn S.; Alpert, Lauren; Lawrence, Charles; Reenan, Robert A.

    2014-01-01

    Auto-regulatory feedback loops are a common molecular strategy used to optimize protein function. In Drosophila many mRNAs involved in neuro-transmission are re-coded at the RNA level by the RNA editing enzyme dADAR, leading to the incorporation of amino acids that are not directly encoded by the genome. dADAR also re-codes its own transcript, but the consequences of this auto-regulation in vivo are unclear. Here we show that hard-wiring or abolishing endogenous dADAR auto-regulation dramatically remodels the landscape of re-coding events in a site-specific manner. These molecular phenotypes correlate with altered localization of dADAR within the nuclear compartment. Furthermore, auto-editing exhibits sexually dimorphic patterns of spatial regulation and can be modified by abiotic environmental factors. Finally, we demonstrate that modifying dAdar auto-editing affects adaptive complex behaviors. Our results reveal the in vivo relevance of auto-regulatory control over post-transcriptional mRNA re-coding events in fine-tuning brain function and organismal behavior. PMID:22531175

  1. Rate of hydrolysis in ATP synthase is fine-tuned by  -subunit motif controlling active site conformation

    KAUST Repository

    Beke-Somfai, T.

    2013-01-23

    Computer-designed artificial enzymes will require precise understanding of how conformation of active sites may control barrier heights of key transition states, including dependence on structure and dynamics at larger molecular scale. F(o)F(1) ATP synthase is interesting as a model system: a delicate molecular machine synthesizing or hydrolyzing ATP using a rotary motor. Isolated F(1) performs hydrolysis with a rate very sensitive to ATP concentration. Experimental and theoretical results show that, at low ATP concentrations, ATP is slowly hydrolyzed in the so-called tight binding site, whereas at higher concentrations, the binding of additional ATP molecules induces rotation of the central γ-subunit, thereby forcing the site to transform through subtle conformational changes into a loose binding site in which hydrolysis occurs faster. How the 1-Å-scale rearrangements are controlled is not yet fully understood. By a combination of theoretical approaches, we address how large macromolecular rearrangements may manipulate the active site and how the reaction rate changes with active site conformation. Simulations reveal that, in response to γ-subunit position, the active site conformation is fine-tuned mainly by small α-subunit changes. Quantum mechanics-based results confirm that the sub-Ångström gradual changes between tight and loose binding site structures dramatically alter the hydrolysis rate.

  2. Fine-tuning implications for complementary dark matter and LHC SUSY searches

    CERN Document Server

    Cassel, S; Kraml, S; Lessa, A; Ross, G G

    2011-01-01

    The requirement that SUSY should solve the hierarchy problem without undue fine-tuning imposes severe constraints on the new supersymmetric states. With the MSSM spectrum and soft SUSY breaking originating from universal scalar and gaugino masses at the Grand Unification scale, we show that the low-fine-tuned regions fall into two classes that will require complementary collider and dark matter searches to explore in the near future. The first class has relatively light gluinos or squarks which should be found by the LHC in its first run. We identify the multijet plus E_T^miss signal as the optimal channel and determine the discovery potential in the first run. The second class has heavier gluinos and squarks but the LSP has a significant Higgsino component and should be seen by the next generation of direct dark matter detection experiments. The combined information from the 7 TeV LHC run and the next generation of direct detection experiments can test almost all of the CMSSM parameter space consistent with ...

  3. Classical Causal Models for Bell and Kochen-Specker Inequality Violations Require Fine-Tuning

    Directory of Open Access Journals (Sweden)

    Eric G. Cavalcanti

    2018-04-01

    Full Text Available Nonlocality and contextuality are at the root of conceptual puzzles in quantum mechanics, and they are key resources for quantum advantage in information-processing tasks. Bell nonlocality is best understood as the incompatibility between quantum correlations and the classical theory of causality, applied to relativistic causal structure. Contextuality, on the other hand, is on a more controversial foundation. In this work, I provide a common conceptual ground between nonlocality and contextuality as violations of classical causality. First, I show that Bell inequalities can be derived solely from the assumptions of no signaling and no fine-tuning of the causal model. This removes two extra assumptions from a recent result from Wood and Spekkens and, remarkably, does not require any assumption related to independence of measurement settings—unlike all other derivations of Bell inequalities. I then introduce a formalism to represent contextuality scenarios within causal models and show that all classical causal models for violations of a Kochen-Specker inequality require fine-tuning. Thus, the quantum violation of classical causality goes beyond the case of spacelike-separated systems and already manifests in scenarios involving single systems.

  4. Fine-tuning with brane-localized flux in 6D supergravity

    Energy Technology Data Exchange (ETDEWEB)

    Niedermann, Florian; Schneider, Robert [Arnold Sommerfeld Center for Theoretical Physics, Ludwig-Maximilians-Universität,Theresienstraße 37, 80333 Munich (Germany); Excellence Cluster Universe,Boltzmannstraße 2, 85748 Garching (Germany)

    2016-02-03

    There are claims in the literature that the cosmological constant problem could be solved in a braneworld model with two large (micron-sized) supersymmetric extra dimensions. The mechanism relies on two basic ingredients: first, the cosmological constant only curves the compact bulk geometry into a rugby shape while the 4D curvature stays flat. Second, a brane-localized flux term is introduced in order to circumvent Weinberg’s fine-tuning argument, which otherwise enters here through a backdoor via the flux quantization condition. In this paper, we show that the latter mechanism does not work in the way it was designed: the only localized flux coupling that guarantees a flat on-brane geometry is one which preserves the scale invariance of the bulk theory. Consequently, Weinberg’s argument applies, making a fine-tuning necessary again. The only remaining window of opportunity lies within scale invariance breaking brane couplings, for which the tuning could be avoided. Whether the corresponding 4D curvature could be kept under control and in agreement with the observed value will be answered in our companion paper http://arxiv.org/abs/1512.03800.

  5. Chiral Symmetry Restoration, Naturalness and the Absence of Fine-Tuning I: Global Theories

    CERN Document Server

    Lynn, Bryan W.

    2013-01-01

    The Standard Model (SM), and the scalar sector of its zero-gauge-coupling limit -- the chiral-symmetric limit of the Gell Mann-Levy Model (GML) -- have been shown not to suffer from a Higgs Fine-Tuning (FT) problem. All ultraviolet quadratic divergences (UVQD) are absorbed into the mass-squared of pseudo Nambu-Goldstone (pNGB) bosons, in GML. Since chiral SU(2)_{L-R} symmetry is restored as the pNGB mass-squared or as the Higgs vacuum expectation value (VEV) are taken to 0, small values of these quantities and of the Higgs mass are natural, and therefore not Fine-Tuned. In this letter, we extend our results on the absence of FT to a wide class of high-mass-scale (M_{Heavy}>>m_{Higgs}) extensions to a simplified SO(2) version of GML. We explicitly demonstrate naturalness and no-FT for two examples of heavy physics, both SO(2) singlets: a heavy (M_S >> m_{Higgs}) real scalar field (with or without a VEV); and a right-handed Type 1 See-Saw Majorana neutrino with M_R >> m_{Higgs}. We prove that for |q^2| <<...

  6. Thyroid Nodule Classification in Ultrasound Images by Fine-Tuning Deep Convolutional Neural Network.

    Science.gov (United States)

    Chi, Jianning; Walia, Ekta; Babyn, Paul; Wang, Jimmy; Groot, Gary; Eramian, Mark

    2017-08-01

    With many thyroid nodules being incidentally detected, it is important to identify as many malignant nodules as possible while excluding those that are highly likely to be benign from fine needle aspiration (FNA) biopsies or surgeries. This paper presents a computer-aided diagnosis (CAD) system for classifying thyroid nodules in ultrasound images. We use deep learning approach to extract features from thyroid ultrasound images. Ultrasound images are pre-processed to calibrate their scale and remove the artifacts. A pre-trained GoogLeNet model is then fine-tuned using the pre-processed image samples which leads to superior feature extraction. The extracted features of the thyroid ultrasound images are sent to a Cost-sensitive Random Forest classifier to classify the images into "malignant" and "benign" cases. The experimental results show the proposed fine-tuned GoogLeNet model achieves excellent classification performance, attaining 98.29% classification accuracy, 99.10% sensitivity and 93.90% specificity for the images in an open access database (Pedraza et al. 16), while 96.34% classification accuracy, 86% sensitivity and 99% specificity for the images in our local health region database.

  7. Fine-tuning with brane-localized flux in 6D supergravity

    International Nuclear Information System (INIS)

    Niedermann, Florian; Schneider, Robert

    2016-01-01

    There are claims in the literature that the cosmological constant problem could be solved in a braneworld model with two large (micron-sized) supersymmetric extra dimensions. The mechanism relies on two basic ingredients: first, the cosmological constant only curves the compact bulk geometry into a rugby shape while the 4D curvature stays flat. Second, a brane-localized flux term is introduced in order to circumvent Weinberg’s fine-tuning argument, which otherwise enters here through a backdoor via the flux quantization condition. In this paper, we show that the latter mechanism does not work in the way it was designed: the only localized flux coupling that guarantees a flat on-brane geometry is one which preserves the scale invariance of the bulk theory. Consequently, Weinberg’s argument applies, making a fine-tuning necessary again. The only remaining window of opportunity lies within scale invariance breaking brane couplings, for which the tuning could be avoided. Whether the corresponding 4D curvature could be kept under control and in agreement with the observed value will be answered in our companion paper http://arxiv.org/abs/1512.03800.

  8. Invariant Set Theory: Violating Measurement Independence without Fine Tuning, Conspiracy, Constraints on Free Will or Retrocausality

    Directory of Open Access Journals (Sweden)

    Tim Palmer

    2015-11-01

    Full Text Available Invariant Set (IS theory is a locally causal ontic theory of physics based on the Cosmological Invariant Set postulate that the universe U can be considered a deterministic dynamical system evolving precisely on a (suitably constructed fractal dynamically invariant set in U's state space. IS theory violates the Bell inequalities by violating Measurement Independence. Despite this, IS theory is not fine tuned, is not conspiratorial, does not constrain experimenter free will and does not invoke retrocausality. The reasons behind these claims are discussed in this paper. These arise from properties not found in conventional ontic models: the invariant set has zero measure in its Euclidean embedding space, has Cantor Set structure homeomorphic to the p-adic integers (p>>0 and is non-computable. In particular, it is shown that the p-adic metric encapulates the physics of the Cosmological Invariant Set postulate, and provides the technical means to demonstrate no fine tuning or conspiracy. Quantum theory can be viewed as the singular limit of IS theory when when p is set equal to infinity. Since it is based around a top-down constraint from cosmology, IS theory suggests that gravitational and quantum physics will be unified by a gravitational theory of the quantum, rather than a quantum theory of gravity. Some implications arising from such a perspective are discussed.

  9. Anthropic Reasoning about Fine-Tuning, and Neoclassical Cosmology: Providence, Omnipresence, and Observation Selection Theory

    Science.gov (United States)

    Walker, Theodore, Jr.

    2011-10-01

    Anthropic reasoning about observation selection effects upon the appearance of cosmic providential fine-tuning (fine-tuning that provides for life) is often motivated by a desire to avoid theological implications (implications favoring the idea of a divine cosmic provider) without appealing to sheer lucky-for-us-cosmic-jackpot happenstance and coincidence. Cosmic coincidence can be rendered less incredible by appealing to a multiverse context. Cosmic providence can be rendered non-theological by appealing to an agent-less providential purpose, or by appealing to less-than-omnipresent/local providers, such as alien intelligences creating life- providing baby universes. Instead of choosing either cosmic coincidence or cosmic providence, as though they were mutually exclusive; it is better to accept both. Neoclassical thought accepts coincidence and providence, plus many local providers and one omnipresent provider. Moreover, fundamental observation selection theory should distinguish the many local observers of some events from the one omnipresent observer of all events. Accepting both coincidence and providence avoids classical theology (providence without coincidence) and classical atheism (coincidence without providence), but not neoclassical theology (providence with coincidence). Cosmology cannot avoid the idea of an all-inclusive omnipresent providential dice-throwing living-creative whole of reality, an idea essential to neoclassical theology, and to neoclassical cosmology.

  10. Nonparametric Fine Tuning of Mixtures: Application to Non-Life Insurance Claims Distribution Estimation

    Science.gov (United States)

    Sardet, Laure; Patilea, Valentin

    When pricing a specific insurance premium, actuary needs to evaluate the claims cost distribution for the warranty. Traditional actuarial methods use parametric specifications to model claims distribution, like lognormal, Weibull and Pareto laws. Mixtures of such distributions allow to improve the flexibility of the parametric approach and seem to be quite well-adapted to capture the skewness, the long tails as well as the unobserved heterogeneity among the claims. In this paper, instead of looking for a finely tuned mixture with many components, we choose a parsimonious mixture modeling, typically a two or three-component mixture. Next, we use the mixture cumulative distribution function (CDF) to transform data into the unit interval where we apply a beta-kernel smoothing procedure. A bandwidth rule adapted to our methodology is proposed. Finally, the beta-kernel density estimate is back-transformed to recover an estimate of the original claims density. The beta-kernel smoothing provides an automatic fine-tuning of the parsimonious mixture and thus avoids inference in more complex mixture models with many parameters. We investigate the empirical performance of the new method in the estimation of the quantiles with simulated nonnegative data and the quantiles of the individual claims distribution in a non-life insurance application.

  11. Avoiding the blue spectrum and the fine-tuning of initial conditions in hybrid inflation

    International Nuclear Information System (INIS)

    Clesse, Sebastien; Rocher, Jonathan

    2009-01-01

    Hybrid inflation faces two well-known problems: the blue spectrum of the nonsupersymmetric version of the model and the fine-tuning of the initial conditions of the fields leading to sufficient inflation to account for the standard cosmological problems. They are investigated by studying the exact two-fields dynamics instead of assuming slow-roll. When the field values are restricted to be less than the reduced Planck mass, a non-negligible part of the initial condition space (around 15% depending on potential parameters) leads to successful inflation. Most of it is located outside the usual inflationary valley and organized in continuous patterns instead of being isolated as previously found. Their existence is explained and their properties are studied. This shows that no excessive fine-tuning is required for successful hybrid inflation. Moreover, by extending the initial condition space to Planckian-like or super-Planckian values, inflation becomes generically sufficiently long and can produce a red-tilted scalar power spectrum due to slow-roll violations. The robustness of these properties is confirmed by conducting our analysis on three other models of hybrid-type inflation in various framework: 'smooth' and 'shifted' inflation in SUSY and SUGRA, and 'radion assisted' gauge inflation. A high percentage of successful inflation for smooth hybrid inflation (up to 80%) is observed.

  12. Fine-Tuning the Quasi-3D Geometry: Enabling Efficient Nonfullerene Organic Solar Cells Based on Perylene Diimides.

    Science.gov (United States)

    Liu, Zhitian; Zhang, Linhua; Shao, Ming; Wu, Yao; Zeng, Di; Cai, Xiang; Duan, Jiashun; Zhang, Xiaolu; Gao, Xiang

    2018-01-10

    The geometries of acceptors based on perylene diimides (PDIs) are important for improving the phase separation and charge transport in organic solar cells. To fine-tune the geometry, biphenyl, spiro-bifluorene, and benzene were used as the core moiety to construct quasi-three-dimensional nonfullerene acceptors based on PDI building blocks. The molecular geometries, energy levels, optical properties, photovoltaic properties, and exciton kinetics were systematically studied. The structure-performance relationship was discussed as well. Owing to the finest phase separation, the highest charge mobility and smallest nongeminate recombination, the power conversion efficiency of nonfullerene solar cells using PDI derivatives with biphenyl core (BP-PDI 4 ) as acceptor reached 7.3% when high-performance wide band gap donor material poly[(2,6-(4,8-bis(5-(2-ethylhexyl)thiophen-2-yl)-benzo[1,2-b:4,5-b']dithiophene))-alt-(5,5-(1',3'-di-2-thienyl-5',7'-bis(2-ethylhexyl)benzo[1',2'-c:4',5'-c']dithiophene-4,8-dione))] was blended.

  13. Non-universal gaugino masses and fine tuning implications for SUSY searches in the MSSM and the GNMSSM

    Energy Technology Data Exchange (ETDEWEB)

    Kaminska, Anna [Oxford Univ. (United Kingdom). Centre for Theoretical Physics; Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany); Ross, Graham G. [Oxford Univ. (United Kingdom). Centre for Theoretical Physics; Schmidt-Hoberg, Kai [European Lab. for Particle Physics (CERN), Geneva (Switzerland)

    2013-08-15

    For the case of the MSSM and the most general form of the NMSSM (GNMSSM) we determine the reduction in the fine tuning that follows from allowing gaugino masses to be non-degenerate at the unification scale, taking account of the LHC8 bounds on SUSY masses, the Higgs mass bound, gauge coupling unification and the requirement of an acceptable dark matter density. We show that low-fine tuned points fall in the region of gaugino mass ratios predicted by specific unified and string models. For the case of the MSSM the minimum fine tuning is still large, approximately 1:60 allowing for a 3 GeV uncertainty in the Higgs mass (1:500 for the central value), but for the GNMSSM it is below 1:20. We find that the spectrum of SUSY states corresponding to the low-fine tuned points in the GNMSSM is often compressed, weakening the LHC bounds on coloured states. The prospect for testing the remaining low-fine-tuned regions at LHC14 is discussed.

  14. Non-universal gaugino masses and fine tuning implications for SUSY searches in the MSSM and the GNMSSM

    CERN Document Server

    Kaminska, Anna; Schmidt-Hoberg, Kai

    2013-01-01

    For the case of the MSSM and the most general form of the NMSSM (GNMSSM) we determine the reduction in the fine tuning that follows from allowing gaugino masses to be non-degenerate at the unification scale, taking account of the LHC8 bounds on SUSY masses, the Higgs mass bound, gauge coupling unification and the requirement of an acceptable dark matter density. We show that low-fine tuned points fall in the region of gaugino mass ratios predicted by specific unified and string models. For the case of the MSSM the minimum fine tuning is still large, approximately 1:60 allowing for a 3 GeV uncertainty in the Higgs mass (1:500 for the central value), but for the GNMSSM it is below 1:20. We find that the spectrum of SUSY states corresponding to the low-fine tuned points in the GNMSSM is often compressed, weakening the LHC bounds on coloured states. The prospect for testing the remaining low-fine-tuned regions at LHC14 is discussed.

  15. A novel approach to finely tuned supersymmetric standard models: The case of the non-universal Higgs mass model

    Science.gov (United States)

    Yamaguchi, Masahiro; Yin, Wen

    2018-02-01

    Discarding the prejudice about fine tuning, we propose a novel and efficient approach to identify relevant regions of fundamental parameter space in supersymmetric models with some amount of fine tuning. The essential idea is the mapping of experimental constraints at a low-energy scale, rather than the parameter sets, to those of the fundamental parameter space. Applying this method to the non-universal Higgs mass model, we identify a new interesting superparticle mass pattern where some of the first two generation squarks are light whilst the stops are kept heavy as 6 TeV. Furthermore, as another application of this method, we show that the discrepancy of the muon anomalous magnetic dipole moment can be filled by a supersymmetric contribution within the 1{σ} level of the experimental and theoretical errors, which was overlooked by previous studies due to the extremely fine tuning required.

  16. Frequency Fine-tuning of a Spin-flip Cavity for Antihydrogen Atoms

    CERN Document Server

    Federmann, S; Mahner, E; Juhasz, B; Widmann, E

    2012-01-01

    As part of the ASACUSA (Atomic Spectroscopy And Collisions Using Slow Antiprotons) physics program a spin-flip cavity, for measurements of the ground-state hyperfine transition frequency of antihydrogen atoms, is needed. The purpose of the cavity is to excite antihydrogen atoms depending on their polarisation by a microwave field operating at 1.42 GHz. The delicacy of designing such a cavity lies in achieving and maintaining the required properties of this field over a large aperture of 10 cm and for a long period of time (required amplitude stability is 1% over 12 h). This paper presents the frequency fine tuning techniques developed to obtain the desired centre frequency of 1.42GHz with a Q value below 500 as well as the circuit used for the frequency sweep over a bandwidth of 6MHz.

  17. Enhancement of impact strength of poly (methyl methacrylate) with surface fine-tuned nano-silica

    International Nuclear Information System (INIS)

    Wen, Bin; Dong, Yixiao; Wu, Lili; Long, Chao; Zhang, Chaocan

    2015-01-01

    Highly dispersible nanoparticles in organic solvent always receive wide interests due to their compatibility with polymer materials. This paper reported a kind of isopropanol alcohol silica dispersion which obtained using a method of azeotropic distillation. The isopropanol alcohol dispersed silica (IPADS) were treated with coupling agents to fine-tune their surface properties. Polymethyl methacrylate (PMMA) was then used as a research object to test the compatibility between IPADS and polymer. UV-vis spectra indicate that IPADS would reach its high compatibility with PMMA if coupling with trimethoxypropylsilane (PTMS). Followed experiments on PMMA proved that the high compatibility can prominently enhance the impact strength about 30%. The results may provide reference both for nano-silica modification and better understanding of nano-enhanced materials. (paper)

  18. Inflation with improved D3-brane potential and the fine tunings associated with the model

    International Nuclear Information System (INIS)

    Ali, Amna; Sami, M.; Deshamukhya, Atri; Panda, Sudhakar

    2011-01-01

    We revisit our earlier investigations of the brane-antibrane inflation in a warped deformed conifold background, reported in Phys. Lett. B 674, 131 (2009), where now we include the contributions to the inflation potential arising from imaginary anti-self-dual (IASD) fluxes including the term with irrational scaling dimension discovered recently in arXiv:0912.4268 and arXiv:1001.5028. We observe that these corrections to the effective potential help in relaxing the severe fine tunings associated with the earlier analysis. Required number of e-folds, observational constraint on COBE normalization and low value of the tensor to scalar ratio are achieved which is consistent with WMAP seven years data. (orig.)

  19. Enhancement of impact strength of poly (methyl methacrylate) with surface fine-tuned nano-silica

    Science.gov (United States)

    Wen, Bin; Dong, Yixiao; Wu, Lili; Long, Chao; Zhang, Chaocan

    2015-07-01

    Highly dispersible nanoparticles in organic solvent always receive wide interests due to their compatibility with polymer materials. This paper reported a kind of isopropanol alcohol silica dispersion which obtained using a method of azeotropic distillation. The isopropanol alcohol dispersed silica (IPADS) were treated with coupling agents to fine-tune their surface properties. Polymethyl methacrylate (PMMA) was then used as a research object to test the compatibility between IPADS and polymer. UV-vis spectra indicate that IPADS would reach its high compatibility with PMMA if coupling with trimethoxypropylsilane (PTMS). Followed experiments on PMMA proved that the high compatibility can prominently enhance the impact strength about 30%. The results may provide reference both for nano-silica modification and better understanding of nano-enhanced materials.

  20. Fine-tuning by strigolactones of root response to low phosphate.

    Science.gov (United States)

    Kapulnik, Yoram; Koltai, Hinanit

    2016-03-01

    Strigolactones are plant hormones that regulate the development of different plant parts. In the shoot, they regulate axillary bud outgrowth and in the root, root architecture and root-hair length and density. Strigolactones are also involved with communication in the rhizosphere, including enhancement of hyphal branching of arbuscular mycorrhizal fungi. Here we present the role and activity of strigolactones under conditions of phosphate deprivation. Under these conditions, their levels of biosynthesis and exudation increase, leading to changes in shoot and root development. At least for the latter, these changes are likely to be associated with alterations in auxin transport and sensitivity. On the other hand, strigolactones may positively affect plant-mycorrhiza interactions and thereby promote phosphate acquisition by the plant. Strigolactones may be a way for plants to fine-tune their growth pattern under phosphate deprivation. © 2015 Institute of Botany, Chinese Academy of Sciences.

  1. Fine-tuning of electronic properties in donor-acceptor conjugated polymers based on oligothiophenes

    Science.gov (United States)

    Imae, Ichiro; Sagawa, Hitoshi; Harima, Yutaka

    2018-03-01

    A novel series of donor-acceptor conjugated polymers having oligothiophenes with well-defined structures were synthesized and their optical, electrochemical, and photovoltaic properties were investigated. It was found that the absorption bands of polymers were red-shifted with increasing number of ethylenedioxy groups added to each oligothiophene unit and that their band edges reached over 1000 nm. The systematical fine-tuning of the electronic properties was achieved using the chemical structures of oligothiophene units. Photovoltaic cells based on polymer/(6,6)-phenyl C61 butyric acid methyl ester (PC61BM) exhibited power conversion efficiencies in the range from 0.004 to 1.10%, reflecting the electronic properties of the polymers.

  2. Fine tuning support vector machines for short-term wind speed forecasting

    International Nuclear Information System (INIS)

    Zhou Junyi; Shi Jing; Li Gong

    2011-01-01

    Research highlights: → A systematic approach to tuning SVM models for wind speed prediction is proposed. → Multiple kernel functions and a wide range of tuning parameters are evaluated, and optimal parameters for each kernel function are obtained. → It is found that the forecasting performance of SVM is closely related to the dynamic characteristics of wind speed. → Under the optimal combination of parameters, different kernels give comparable forecasting accuracy. -- Abstract: Accurate forecasting of wind speed is critical to the effective harvesting of wind energy and the integration of wind power into the existing electric power grid. Least-squares support vector machines (LS-SVM), a powerful technique that is widely applied in a variety of classification and function estimation problems, carries great potential for the application of short-term wind speed forecasting. In this case, tuning the model parameters for optimal forecasting accuracy is a fundamental issue. This paper, for the first time, presents a systematic study on fine tuning of LS-SVM model parameters for one-step ahead wind speed forecasting. Three SVM kernels, namely linear, Gaussian, and polynomial kernels, are implemented. The SVM parameters considered include the training sample size, SVM order, regularization parameter, and kernel parameters. The results show that (1) the performance of LS-SVM is closely related to the dynamic characteristics of wind speed; (2) all parameters investigated greatly affect the performance of LS-SVM models; (3) under the optimal combination of parameters after fine tuning, the three kernels give comparable forecasting accuracy; (4) the performance of linear kernel is worse than the other two kernels when the training sample size or SVM order is small. In addition, LS-SVMs are compared against the persistence approach, and it is found that they can outperform the persistence model in the majority of cases.

  3. Do we live in the best of all possible worlds? The fine-tuning of the constants of nature

    Directory of Open Access Journals (Sweden)

    Naumann Thomas

    2017-01-01

    Full Text Available Our existence depends on a variety of constants which appear to be extremely fine-tuned to allow for the existence of life. These include the number of spatial dimensions, the strengths of the forces, the masses of the particles, the composition of the Universe and others. On the occasion of the 300th anniversary of the death of G.W. Leibniz we discuss the question of whether we live in the “Best of all Worlds”. The hypothesis of a multiverse could explain the mysterious fine tuning of so many fundamental quantities. Anthropic arguments are critically reviewed.

  4. Do we live in the best of all possible worlds? The fine-tuning of the constants of nature

    Science.gov (United States)

    Naumann, Thomas

    2017-12-01

    Our existence depends on a variety of constants which appear to be extremely fine-tuned to allow for the existence of life. These include the number of spatial dimensions, the strengths of the forces, the masses of the particles, the composition of the Universe and others. On the occasion of the 300th anniversary of the death of G.W. Leibniz we discuss the question of whether we live in the "Best of all Worlds". The hypothesis of a multiverse could explain the mysterious fine tuning of so many fundamental quantities. Anthropic arguments are critically reviewed.

  5. Fine tuning of the lactate and diacetyl production through promoter engineering in Lactococcus lactis.

    Directory of Open Access Journals (Sweden)

    Tingting Guo

    Full Text Available Lactococcus lactis is a well-studied bacterium widely used in dairy fermentation and capable of producing metabolites with organoleptic and nutritional characteristics. For fine tuning of the distribution of glycolytic flux at the pyruvate branch from lactate to diacetyl and balancing the production of the two metabolites under aerobic conditions, a constitutive promoter library was constructed by randomizing the promoter sequence of the H(2O-forming NADH oxidase gene in L. lactis. The library consisted of 30 promoters covering a wide range of activities from 7,000 to 380,000 relative fluorescence units using a green fluorescent protein as reporter. Eleven typical promoters of the library were selected for the constitutive expression of the H(2O-forming NADH oxidase gene in L. lactis, and the NADH oxidase activity increased from 9.43 to 58.17-fold of the wild-type strain in small steps of activity change under aerobic conditions. Meanwhile, the lactate yield decreased from 21.15 ± 0.08 mM to 9.94 ± 0.07 mM, and the corresponding diacetyl production increased from 1.07 ± 0.03 mM to 4.16 ± 0.06 mM with the intracellular NADH/NAD(+ ratios varying from 0.711 ± 0.005 to 0.383 ± 0.003. The results indicated that the reduced pyruvate to lactate flux was rerouted to the diacetyl with an almost linear flux variation via altered NADH/NAD(+ ratios. Therefore, we provided a novel strategy to precisely control the pyruvate distribution for fine tuning of the lactate and diacetyl production through promoter engineering in L. lactis. Interestingly, the increased H(2O-forming NADH oxidase activity led to 76.95% lower H(2O(2 concentration in the recombinant strain than that of the wild-type strain after 24 h of aerated cultivation. The viable cells were significantly elevated by four orders of magnitude within 28 days of storage at 4°C, suggesting that the increased enzyme activity could eliminate H(2O(2 accumulation and prolong cell survival.

  6. Glycan shield and fusion activation of a deltacoronavirus spike glycoprotein fine-tuned for enteric infections.

    Science.gov (United States)

    Xiong, Xiaoli; Tortorici, M Alejandra; Snijder, Joost; Yoshioka, Craig; Walls, Alexandra C; Li, Wentao; McGuire, Andrew T; Rey, Félix A; Bosch, Berend-Jan; Veesler, David

    2017-11-01

    Coronaviruses recently emerged as major human pathogens causing outbreaks of severe acute respiratory syndrome and Middle-East respiratory syndrome. They utilize the spike (S) glycoprotein anchored in the viral envelope to mediate host attachment and fusion of the viral and cellular membranes to initiate infection. The S protein is a major determinant of the zoonotic potential of coronaviruses and is also the main target of the host humoral immune response. We report here the 3.5 Å resolution cryo-electron microscopy structure of the S glycoprotein trimer from the pathogenic porcine deltacoronavirus (PDCoV), which belongs to the recently identified delta genus. Structural and glycoproteomics data indicate that the glycans of PDCoV S are topologically conserved when compared with the human respiratory coronavirus HCoV-NL63 S, resulting in similar surface areas being shielded from neutralizing antibodies and implying that both viruses are under comparable immune pressure in their respective hosts. The structure further reveals a shortened S 2 ' activation loop, containing a reduced number of basic amino acids, which participates to rendering the spike largely protease-resistant. This property distinguishes PDCoV S from recently characterized betacoronavirus S proteins and suggests that the S protein of enterotropic PDCoV has evolved to tolerate the protease-rich environment of the small intestine and to fine-tune its fusion activation to avoid premature triggering and reduction of infectivity. IMPORTANCE Coronaviruses use transmembrane spike (S) glycoprotein trimers to promote host attachment and fusion of the viral and cellular membranes. We determined a near-atomic resolution cryo-electron microscopy structure of the S ectodomain trimer from the pathogenic porcine deltacoronavirus (PDCoV), which is responsible for diarrhea in piglets and has had devastating consequences for the swine industry worldwide. Structural and glycoproteomics data reveal that PDCoV S is

  7. Highly stable and finely tuned magnetic fields generated by permanent magnet assemblies.

    Science.gov (United States)

    Danieli, E; Perlo, J; Blümich, B; Casanova, F

    2013-05-03

    Permanent magnetic materials are the only magnetic source that can be used to generate magnetic fields without power consumption or maintenance. Such stand-alone magnets are very attractive for many scientific and engineering areas, but they suffer from poor temporal field stability, which arises from the strong sensitivity of the magnetic materials and mechanical support to temperature variation. In this work, we describe a highly efficient method useful to cancel the temperature coefficient of permanent magnet assemblies in a passive and accurate way. It is based on the combination of at least two units made of magnetic materials with different temperature coefficients arranged in such a way that the ratio of the fields generated by each unit matches the ratio of their effective temperature coefficients defined by both the magnetic and mechanical contributions. Although typically available magnetic materials have negative temperature coefficients, the cancellation is achieved by aligning the fields generated by each unit in the opposite direction. We demonstrate the performance of this approach by stabilizing the field generated by a dipolar Halbach magnet, recently proposed to achieve high field homogeneity. Both the field drift and the homogeneity are monitored via nuclear magnetic resonance spectroscopy experiments. The results demonstrate the compatibility of the thermal compensation approach with existing strategies useful to fine-tune the spatial dependence of the field generated by permanent magnet arrays.

  8. A ROP2-RIC1 pathway fine-tunes microtubule reorganization for salt tolerance in Arabidopsis.

    Science.gov (United States)

    Li, Changjiang; Lu, Hanmei; Li, Wei; Yuan, Ming; Fu, Ying

    2017-07-01

    The reorganization of microtubules induced by salt stress is required for Arabidopsis survival under high salinity conditions. RIC1 is an effector of Rho-related GTPase from plants (ROPs) and a known microtubule-associated protein. In this study, we demonstrated that RIC1 expression decreased with long-term NaCl treatment, and ric1-1 seedlings exhibited a higher survival rate under salt stress. We found that RIC1 reduced the frequency of microtubule transition from shortening to growing status and knockout of RIC1 improved the reassembly of depolymerized microtubules caused by either oryzalin treatment or salt stress. Further investigation showed that constitutively active ROP2 promoted the reassembly of microtubules and the survival of seedlings under salt stress. A rop2-1 ric1-1 double mutant rescued the salt-sensitive phenotype of rop2-1, indicating that ROP2 functions in salt tolerance through RIC1. Although ROP2 did not regulate RIC1 expression upon salt stress, a quick but mild increase of ROP2 activity was induced, led to reduction of RIC1 on microtubules. Collectively, our study reveals an ROP2-RIC1 pathway that fine-tunes microtubule dynamics in response to salt stress in Arabidopsis. This finding not only reveals a new regulatory mechanism for microtubule reorganization under salt stress but also the importance of ROP signalling for salinity tolerance. © 2017 John Wiley & Sons Ltd.

  9. Phospho-Pon Binding-Mediated Fine-Tuning of Plk1 Activity.

    Science.gov (United States)

    Zhu, Kang; Shan, Zelin; Zhang, Lu; Wen, Wenyu

    2016-07-06

    In Drosophila neuroblasts (NBs), the asymmetrical localization and segregation of the cell-fate determinant Numb are regulated by its adaptor Partner of Numb (Pon) and the cell-cycle kinase Polo. Polo phosphorylates the Pon localization domain, thus leading to its basal distribution together with Numb, albeit through an unclear mechanism. Here, we find that Cdk1 phosphorylates Pon at Thr63, thus creating a docking site for the Polo-box domain (PBD) of Polo-like kinase 1 (Plk1). The crystal structure of the Plk1 PBD/phospho-Pon complex reveals that two phospho-Pon bound PBDs associate to form a dimer of dimers. We provide evidence that phospho-Pon binding-induced PBD dimerization relieves the autoinhibition of Plk1. Moreover, we demonstrate that the priming Cdk1 phosphorylation of Pon is important for sequential Plk1 phosphorylation. Our results not only provide structural insight into how phosphoprotein binding activates Plk1 but also suggest that binding to different phosphoproteins might mediate the fine-tuning of Plk1 activity. Copyright © 2016 Elsevier Ltd. All rights reserved.

  10. Statistical-Mechanical Analysis of Pre-training and Fine Tuning in Deep Learning

    Science.gov (United States)

    Ohzeki, Masayuki

    2015-03-01

    In this paper, we present a statistical-mechanical analysis of deep learning. We elucidate some of the essential components of deep learning — pre-training by unsupervised learning and fine tuning by supervised learning. We formulate the extraction of features from the training data as a margin criterion in a high-dimensional feature-vector space. The self-organized classifier is then supplied with small amounts of labelled data, as in deep learning. Although we employ a simple single-layer perceptron model, rather than directly analyzing a multi-layer neural network, we find a nontrivial phase transition that is dependent on the number of unlabelled data in the generalization error of the resultant classifier. In this sense, we evaluate the efficacy of the unsupervised learning component of deep learning. The analysis is performed by the replica method, which is a sophisticated tool in statistical mechanics. We validate our result in the manner of deep learning, using a simple iterative algorithm to learn the weight vector on the basis of belief propagation.

  11. Fine-tuning of the spectral collection efficiency in multilayer junctions

    International Nuclear Information System (INIS)

    Fernandes, M.; Fantoni, A.; Louro, P.; Lavareda, G.; Carvalho, N.; Schwarz, R.; Vieira, M.

    2006-01-01

    a-SiC:H/a-Si:H p-i-n/p-i-n tandem cells with different i-layer thickness have been produced by PECVD and tested for a proper fine-tuning of the spectral collection efficiency. The tandem structure takes advantage on the radiation wavelength selectivity due to the different light penetration depth inside the a-Si:H and a-SiC:H absorbers. The thickness and the absorption coefficient of the front p-i-n cell were optimized for blue collection and red transmittance and the thickness of the back one adjusted to achieve full absorption in the green and high collection in the red spectral ranges. Preliminary results show that device optimization for red detection can be obtained by reducing the thickness of the internal recombination junction while by increasing the intrinsic layer of the bottom a-Si:H cell, a better detection of the green color under appropriated applied voltages is foreseen. The physics behind the device functioning is explained through a numerical simulation of the internal electrical configuration of the device in dark and under different wavelength irradiations. Considerations about conduction band offsets, electrical field profiles and inversion layers will be taken into account to explain the optical and voltage bias dependence of the spectral response. Experimental results about the spectral collection efficiency are presented and discussed from the point of view of the color sensor applications

  12. Fine tuning of optical signals in nanoporous anodic alumina photonic crystals by apodized sinusoidal pulse anodisation.

    Science.gov (United States)

    Santos, Abel; Law, Cheryl Suwen; Chin Lei, Dominique Wong; Pereira, Taj; Losic, Dusan

    2016-11-03

    In this study, we present an advanced nanofabrication approach to produce gradient-index photonic crystal structures based on nanoporous anodic alumina. An apodization strategy is for the first time applied to a sinusoidal pulse anodisation process in order to engineer the photonic stop band of nanoporous anodic alumina (NAA) in depth. Four apodization functions are explored, including linear positive, linear negative, logarithmic positive and logarithmic negative, with the aim of finely tuning the characteristic photonic stop band of these photonic crystal structures. We systematically analyse the effect of the amplitude difference (from 0.105 to 0.840 mA cm -2 ), the pore widening time (from 0 to 6 min), the anodisation period (from 650 to 950 s) and the anodisation time (from 15 to 30 h) on the quality and the position of the characteristic photonic stop band and the interferometric colour of these photonic crystal structures using the aforementioned apodization functions. Our results reveal that a logarithmic negative apodisation function is the most optimal approach to obtain unprecedented well-resolved and narrow photonic stop bands across the UV-visible-NIR spectrum of NAA-based gradient-index photonic crystals. Our study establishes a fully comprehensive rationale towards the development of unique NAA-based photonic crystal structures with finely engineered optical properties for advanced photonic devices such as ultra-sensitive optical sensors, selective optical filters and all-optical platforms for quantum computing.

  13. Fine-tuning of defensive behaviors in the dorsal periaqueductal gray by atypical neurotransmitters

    Directory of Open Access Journals (Sweden)

    M.V. Fogaça

    2012-04-01

    Full Text Available This paper presents an up-to-date review of the evidence indicating that atypical neurotransmitters such as nitric oxide (NO and endocannabinoids (eCBs play an important role in the regulation of aversive responses in the periaqueductal gray (PAG. Among the results supporting this role, several studies have shown that inhibitors of neuronal NO synthase or cannabinoid receptor type 1 (CB1 receptor agonists cause clear anxiolytic responses when injected into this region. The nitrergic and eCB systems can regulate the activity of classical neurotransmitters such as glutamate and γ-aminobutyric acid (GABA that control PAG activity. We propose that they exert a ‘fine-tuning’ regulatory control of defensive responses in this area. This control, however, is probably complex, which may explain the usually bell-shaped dose-response curves observed with drugs that act on NO- or CB1-mediated neurotransmission. Even if the mechanisms responsible for this complex interaction are still poorly understood, they are beginning to be recognized. For example, activation of transient receptor potential vanilloid type-1 channel (TRPV1 receptors by anandamide seems to counteract the anxiolytic effects induced by CB1 receptor activation caused by this compound. Further studies, however, are needed to identify other mechanisms responsible for this fine-tuning effect.

  14. Fine-tuning the ubiquitin code at DNA double-strand breaks: deubiquitinating enzymes at work

    Directory of Open Access Journals (Sweden)

    Elisabetta eCitterio

    2015-09-01

    Full Text Available Ubiquitination is a reversible protein modification broadly implicated in cellular functions. Signaling processes mediated by ubiquitin are crucial for the cellular response to DNA double-strand breaks (DSBs, one of the most dangerous types of DNA lesions. In particular, the DSB response critically relies on active ubiquitination by the RNF8 and RNF168 ubiquitin ligases at the chromatin, which is essential for proper DSB signaling and repair. How this pathway is fine-tuned and what the functional consequences are of its deregulation for genome integrity and tissue homeostasis are subject of intense investigation. One important regulatory mechanism is by reversal of substrate ubiquitination through the activity of specific deubiquitinating enzymes (DUBs, as supported by the implication of a growing number of DUBs in DNA damage response (DDR processes. Here, we discuss the current knowledge of how ubiquitin-mediated signaling at DSBs is controlled by deubiquitinating enzymes, with main focus on DUBs targeting histone H2A and on their recent implication in stem cell biology and cancer.

  15. Improving Genetic Algorithm with Fine-Tuned Crossover and Scaled Architecture

    Directory of Open Access Journals (Sweden)

    Ajay Shrestha

    2016-01-01

    Full Text Available Genetic Algorithm (GA is a metaheuristic used in solving combinatorial optimization problems. Inspired by evolutionary biology, GA uses selection, crossover, and mutation operators to efficiently traverse the solution search space. This paper proposes nature inspired fine-tuning to the crossover operator using the untapped idea of Mitochondrial DNA (mtDNA. mtDNA is a small subset of the overall DNA. It differentiates itself by inheriting entirely from the female, while the rest of the DNA is inherited equally from both parents. This unique characteristic of mtDNA can be an effective mechanism to identify members with similar genes and restrict crossover between them. It can reduce the rate of dilution of diversity and result in delayed convergence. In addition, we scale the well-known Island Model, where instances of GA are run independently and population members exchanged periodically, to a Continental Model. In this model, multiple web services are executed with each web service running an island model. We applied the concept of mtDNA in solving Traveling Salesman Problem and to train Neural Network for function approximation. Our implementation tests show that leveraging these new concepts of mtDNA and Continental Model results in relative improvement of the optimization quality of GA.

  16. Regulation of mesenchymal stromal cells through fine tuning of canonical Wnt signaling

    Directory of Open Access Journals (Sweden)

    Jin-A Kim

    2015-05-01

    Full Text Available Mesenchymal stromal cells (MSCs have been extensively utilized for various cell therapeutic trials, but the signals regulating their stromal function remain largely unclear. Here, we show that canonical Wnt signals distinctively regulate MSCs in a biphasic manner depending on signal intensity, i.e., MSCs exhibit proliferation and progenitor self-renewal under low Wnt/β-catenin signaling, whereas they exhibit enhanced osteogenic differentiation with priming to osteoblast-like lineages under high Wnt/β-catenin signaling. Moreover, low or high levels of β-catenin in MSCs distinctly regulated the hematopoietic support of MSCs to promote proliferation or the undifferentiated state of hematopoietic progenitors, respectively. A gene expression study demonstrated that different intracellular levels of β-catenin in MSCs induce distinct transcriptomic changes in subsets of genes belonging to different gene function categories. Different β-catenin levels also induced differences in intracellular levels of the β-catenin co-factors, Tcf-1 and Lef-1. Moreover, nano-scale mass spectrometry of proteins that co-precipitated with β-catenin revealed distinctive spectra of proteins selectively interacting with β-catenin at specific expression levels. Together, these results show that Wnt/β-catenin signals can coax distinct transcription milieu to induce different transcription profiles in MSCs depending on the signal intensity and that fine-tuning of the canonical Wnt signaling intensity can regulate the phase-specific functionality of MSCs.

  17. The BBX subfamily IV: additional cogs and sprockets to fine-tune light-dependent development.

    Science.gov (United States)

    Sarmiento, Felipe

    2013-04-01

    Plants depend on light during all phases of its life cycle, and have evolved a complex signaling network to constantly monitor its surroundings. Photomorphogenesis, a process during which the plant reprograms itself in order to dwell life in presence of light is one of the most studied phenomena in plants. Recent mutant analyses using model plant Arabidopsis thaliana and protein interaction assays have unraveled a new set of players, an 8-member subfamily of B-box proteins, known as BBX subfamily IV. For the members of this subfamily, positive (BBX21, BBX22) as well as negative (BBX24) functions have been described for its members, showing a strong association to two major players of the photomorphogenic cascade, HY5 and COP1. The roles of these new BBX regulators are not restricted to photomorphogenesis, but also have functions in other facets of light-dependent development. Therefore this newly identified set of regulators has opened up new insights into the understanding of the fine-tuning of this complex process.

  18. Fungal Endophytes as a Metabolic Fine-Tuning Regulator for Wine Grape.

    Directory of Open Access Journals (Sweden)

    Ming-Zhi Yang

    Full Text Available Endophytes proved to exert multiple effects on host plants, including growth promotion, stress resistance. However, whether endophytes have a role in metabolites shaping of grape has not been fully understood. Eight endophytic fungal strains which originally isolated from grapevines were re-inoculated to field-grown grapevines in this study, and their effects on both leaves and berries of grapevines at maturity stage were assessed, with special focused on secondary metabolites and antioxidant activities. High-density inoculation of all these endophytic fungal strains modified the physio-chemical status of grapevine to different degrees. Fungal inoculations promoted the content of reducing sugar (RS, total flavonoids (TF, total phenols (TPh, trans-resveratrol (Res and activities of phenylalanine ammonia-lyase (PAL, in both leaves and berries of grapevine. Inoculation of endophytic fungal strains, CXB-11 (Nigrospora sp. and CXC-13 (Fusarium sp. conferred greater promotion effects in grape metabolic re-shaping, compared to other used fungal strains. Additionally, inoculation of different strains of fungal endophytes led to establish different metabolites patterns of wine grape. The work implies the possibility of using endophytic fungi as fine-tuning regulator to shape the quality and character of wine grape.

  19. PDI Derivative through Fine-Tuning Molecular Structure for Fullerene-Free Organic Solar Cells

    KAUST Repository

    Sun, Hua; Song, Xin; Xie, Jian; Sun, Po; Gu, Peiyang; Liu, Chang Mei; Chen, Fei; Zhang, Qi Chun; Chen, Zhi-Kuan; Huang, Wei

    2017-01-01

    fabricated and achieved a power conversion efficiency of up to 8.89% with DPE as an additive. Efficient and complementary photo absorption, favorable phase separation and balanced carrier mobilites in the blend film account for the high photovoltaic

  20. Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation

    Science.gov (United States)

    Rossi, Mariana; Kapil, Venkat; Ceriotti, Michele

    2018-03-01

    Generalized Langevin Equation (GLE) thermostats have been used very effectively as a tool to manipulate and optimize the sampling of thermodynamic ensembles and the associated static properties. Here we show that a similar, exquisite level of control can be achieved for the dynamical properties computed from thermostatted trajectories. We develop quantitative measures of the disturbance induced by the GLE to the Hamiltonian dynamics of a harmonic oscillator, and show that these analytical results accurately predict the behavior of strongly anharmonic systems. We also show that it is possible to correct, to a significant extent, the effects of the GLE term onto the corresponding microcanonical dynamics, which puts on more solid grounds the use of non-equilibrium Langevin dynamics to approximate quantum nuclear effects and could help improve the prediction of dynamical quantities from techniques that use a Langevin term to stabilize dynamics. Finally we address the use of thermostats in the context of approximate path-integral-based models of quantum nuclear dynamics. We demonstrate that a custom-tailored GLE can alleviate some of the artifacts associated with these techniques, improving the quality of results for the modeling of vibrational dynamics of molecules, liquids, and solids.

  1. Timing is everything: Fine-tuned molecular machines orchestrate paramyxovirus entry

    Energy Technology Data Exchange (ETDEWEB)

    Bose, Sayantan, E-mail: sayantan_bose@hms.harvard.edu [Department of Molecular Biosciences, Northwestern University, Evanston, IL 60208-3500 (United States); Jardetzky, Theodore S. [Department of Structural Biology and Program in Immunology, Stanford University School of Medicine, Stanford, CA 94305 (United States); Lamb, Robert A., E-mail: ralamb@northwestern.edu [Department of Molecular Biosciences, Northwestern University, Evanston, IL 60208-3500 (United States); Howard Hughes Medical Institute, Northwestern University, Evanston, IL 60208-3500 (United States)

    2015-05-15

    The Paramyxoviridae include some of the great and ubiquitous disease-causing viruses of humans and animals. In most paramyxoviruses, two viral membrane glycoproteins, fusion protein (F) and receptor binding protein (HN, H or G) mediate a concerted process of recognition of host cell surface molecules followed by fusion of viral and cellular membranes, resulting in viral nucleocapsid entry into the cytoplasm. The interactions between the F and HN, H or G viral glycoproteins and host molecules are critical in determining host range, virulence and spread of these viruses. Recently, atomic structures, together with biochemical and biophysical studies, have provided major insights into how these two viral glycoproteins successfully interact with host receptors on cellular membranes and initiate the membrane fusion process to gain entry into cells. These studies highlight the conserved core mechanisms of paramyxovirus entry that provide the fundamental basis for rational anti-viral drug design and vaccine development. - Highlights: • New structural and functional insights into paramyxovirus entry mechanisms. • Current data on paramyxovirus glycoproteins suggest a core conserved entry mechanism. • Diverse mechanisms preventing premature fusion activation exist in these viruses. • Precise spacio-temporal interplay between paramyxovirus glycoproteins initiate entry.

  2. Leaf color is fine-tuned on the solar spectra to avoid strand direct solar radiation.

    Science.gov (United States)

    Kume, Atsushi; Akitsu, Tomoko; Nasahara, Kenlo Nishida

    2016-07-01

    The spectral distributions of light absorption rates by intact leaves are notably different from the incident solar radiation spectra, for reasons that remain elusive. Incident global radiation comprises two main components; direct radiation from the direction of the sun, and diffuse radiation, which is sunlight scattered by molecules, aerosols and clouds. Both irradiance and photon flux density spectra differ between direct and diffuse radiation in their magnitude and profile. However, most research has assumed that the spectra of photosynthetically active radiation (PAR) can be averaged, without considering the radiation classes. We used paired spectroradiometers to sample direct and diffuse solar radiation, and obtained relationships between the PAR spectra and the absorption spectra of photosynthetic pigments and organs. As monomers in solvent, the spectral absorbance of Chl a decreased with the increased spectral irradiance (W m(-2) nm(-1)) of global PAR at noon (R(2) = 0.76), and was suitable to avoid strong spectral irradiance (λmax = 480 nm) rather than absorb photon flux density (μmol m(-2) s(-1) nm(-1)) efficiently. The spectral absorption of photosystems and the intact thallus and leaves decreased linearly with the increased spectral irradiance of direct PAR at noon (I dir-max), where the wavelength was within the 450-650 nm range (R(2) = 0.81). The higher-order structure of photosystems systematically avoided the strong spectral irradiance of I dir-max. However, when whole leaves were considered, leaf anatomical structure and light scattering in leaf tissues made the leaves grey bodies for PAR and enabled high PAR use efficiency. Terrestrial green plants are fine-tuned to spectral dynamics of incident solar radiation and PAR absorption is increased in various structural hierarchies.

  3. 'Fine-tuning' blood flow to the exercising muscle with advancing age: an update.

    Science.gov (United States)

    Wray, D Walter; Richardson, Russell S

    2015-06-01

    What is the topic of this review? This review focuses on age-related changes in the regulatory pathways that exist at the unique interface between the vascular smooth muscle and the endothelium of the skeletal muscle vasculature, and how these changes contribute to impairments in exercising skeletal muscle blood flow in the elderly. What advances does it highlight? Several recent in vivo human studies from our group and others are highlighted that have examined age-related changes in nitric oxide, endothelin-1, alpha adrenergic, and renin-angiotensin-aldosterone (RAAS) signaling. During dynamic exercise, oxygen demand from the exercising muscle is dramatically elevated, requiring a marked increase in skeletal muscle blood flow that is accomplished through a combination of systemic sympathoexcitation and local metabolic vasodilatation. With advancing age, the balance between these factors appears to be disrupted in favour of vasoconstriction, leading to an impairment in exercising skeletal muscle blood flow in the elderly. This 'hot topic' review aims to provide an update to our current knowledge of age-related changes in the neural and local mechanisms that contribute to this 'fine-tuning' of blood flow during exercise. The focus is on results from recent human studies that have adopted a reductionist approach to explore how age-related changes in both vasodilators (nitric oxide) and vasoconstrictors (endothelin-1, α-adrenergic agonists and angiotensin II) interact and how these changes impact blood flow to the exercising skeletal muscle with advancing age. © 2015 The Authors. Experimental Physiology © 2015 The Physiological Society.

  4. High-temperature superconductivity from fine-tuning of Fermi-surface singularities in iron oxypnictides

    Science.gov (United States)

    Charnukha, A.; Evtushinsky, D. V.; Matt, C. E.; Xu, N.; Shi, M.; Büchner, B.; Zhigadlo, N. D.; Batlogg, B.; Borisenko, S. V.

    2015-12-01

    In the family of the iron-based superconductors, the REFeAsO-type compounds (with RE being a rare-earth metal) exhibit the highest bulk superconducting transition temperatures (Tc) up to 55 K and thus hold the key to the elusive pairing mechanism. Recently, it has been demonstrated that the intrinsic electronic structure of SmFe0.92Co0.08AsO (Tc = 18 K) is highly nontrivial and consists of multiple band-edge singularities in close proximity to the Fermi level. However, it remains unclear whether these singularities are generic to the REFeAsO-type materials and if so, whether their exact topology is responsible for the aforementioned record Tc. In this work, we use angle-resolved photoemission spectroscopy (ARPES) to investigate the inherent electronic structure of the NdFeAsO0.6F0.4 compound with a twice higher Tc = 38 K. We find a similarly singular Fermi surface and further demonstrate that the dramatic enhancement of superconductivity in this compound correlates closely with the fine-tuning of one of the band-edge singularities to within a fraction of the superconducting energy gap Δ below the Fermi level. Our results provide compelling evidence that the band-structure singularities near the Fermi level in the iron-based superconductors must be explicitly accounted for in any attempt to understand the mechanism of superconducting pairing in these materials.

  5. One-loop analysis of the electroweak breaking in supersymmetric models and the fine-tuning problem

    CERN Document Server

    De Carlos, B

    1993-01-01

    We examine the electroweak breaking mechanism in the minimal supersymmetric standard model (MSSM) using the {\\em complete} one-loop effective potential $V_1$. First, we study what is the region of the whole MSSM parameter space (i.e. $M_{1/2},m_o,\\mu,...$) that leads to a succesful $SU(2)\\times U(1)$ breaking with an acceptable top quark mass. In doing this it is observed that all the one-loop corrections to $V_1$ (even the apparently small ones) must be taken into account in order to get reliable results. We find that the allowed region of parameters is considerably enhanced with respect to former "improved" tree level results. Next, we study the fine-tuning problem associated with the high sensitivity of $M_Z$ to $h_t$ (the top Yukawa coupling). Again, we find that this fine-tuning is appreciably smaller once the one-loop effects are considered than in previous tree level calculations. Finally, we explore the ambiguities and limitations of the ordinary criterion to estimate the degree of fine-tuning. As a r...

  6. Poster - 53: Improving inter-linac DMLC IMRT dose precision by fine tuning of MLC leaf calibration

    International Nuclear Information System (INIS)

    Nakonechny, Keith; Tran, Muoi; Sasaki, David; Beck, James; Poirier, Yannick; Malkoske, Kyle

    2016-01-01

    Purpose: To develop a method to improve the inter-linac precision of DMLC IMRT dosimetry. Methods: The distance between opposing MLC leaf banks (“gap size”) can be finely tuned on Varian linacs. The dosimetric effect due to small deviations from the nominal gap size (“gap error”) was studied by introducing known errors for several DMLC sliding gap sizes, and for clinical plans based on the TG119 test cases. The plans were delivered on a single Varian linac and the relationship between gap error and the corresponding change in dose was measured. The plans were also delivered on eight Varian 2100 series linacs (at two institutions) in order to quantify the inter-linac variation in dose before and after fine tuning the MLC calibration. Results: The measured dose differences for each field agreed well with the predictions of LoSasso et al. Using the default MLC calibration, the variation in the physical MLC gap size was determined to be less than 0.4 mm between all linacs studied. The dose difference between the linacs with the largest and smallest physical gap was up to 5.4% (spinal cord region of the head and neck TG119 test case). This difference was reduced to 2.5% after fine tuning the MLC gap calibration. Conclusions: The inter-linac dose precision for DMLC IMRT on Varian linacs can be improved using a simple modification of the MLC calibration procedure that involves fine adjustment of the nominal gap size.

  7. Poster - 53: Improving inter-linac DMLC IMRT dose precision by fine tuning of MLC leaf calibration

    Energy Technology Data Exchange (ETDEWEB)

    Nakonechny, Keith; Tran, Muoi; Sasaki, David; Beck, James; Poirier, Yannick; Malkoske, Kyle [Simcoe-Muskoka Regional Cancer Centre (Canada)

    2016-08-15

    Purpose: To develop a method to improve the inter-linac precision of DMLC IMRT dosimetry. Methods: The distance between opposing MLC leaf banks (“gap size”) can be finely tuned on Varian linacs. The dosimetric effect due to small deviations from the nominal gap size (“gap error”) was studied by introducing known errors for several DMLC sliding gap sizes, and for clinical plans based on the TG119 test cases. The plans were delivered on a single Varian linac and the relationship between gap error and the corresponding change in dose was measured. The plans were also delivered on eight Varian 2100 series linacs (at two institutions) in order to quantify the inter-linac variation in dose before and after fine tuning the MLC calibration. Results: The measured dose differences for each field agreed well with the predictions of LoSasso et al. Using the default MLC calibration, the variation in the physical MLC gap size was determined to be less than 0.4 mm between all linacs studied. The dose difference between the linacs with the largest and smallest physical gap was up to 5.4% (spinal cord region of the head and neck TG119 test case). This difference was reduced to 2.5% after fine tuning the MLC gap calibration. Conclusions: The inter-linac dose precision for DMLC IMRT on Varian linacs can be improved using a simple modification of the MLC calibration procedure that involves fine adjustment of the nominal gap size.

  8. Au@Ag Core-Shell Nanocubes with Finely Tuned and Well-Controlled Sizes, Shell Thicknesses, and Optical Properties

    OpenAIRE

    Ma, Yanyun; Li, Weiyang; Cho, Eun Chul; Li, Zhiyuan; Yu, Taekyung; Zeng, Jie; Xie, Zhaoxiong; Xia, Younan

    2010-01-01

    This paper describes a facile method for generating Au@Ag core-shell nanocubes with edge lengths controllable in the range of 13.4 to 50 nm. The synthesis involved the use of single-crystal, spherical Au nanocrystals of 11 nm in size as the seeds in an aqueous system, with ascorbic acid serving as the reductant and cetyltrimethylammonium chloride (CTAC) as the capping agent. The thickness of the Ag shells could be finely tuned from 1.2 to 20 nm by varying the ratio of AgNO3 precursor to Au se...

  9. The CCR4 Deadenylase Acts with Nanos and Pumilio in the Fine-Tuning of Mei-P26 Expression to Promote Germline Stem Cell Self-Renewal

    Science.gov (United States)

    Joly, Willy; Chartier, Aymeric; Rojas-Rios, Patricia; Busseau, Isabelle; Simonelig, Martine

    2013-01-01

    Summary Translational regulation plays an essential role in Drosophila ovarian germline stem cell (GSC) biology. GSC self-renewal requires two translational repressors, Nanos (Nos) and Pumilio (Pum), which repress the expression of differentiation factors in the stem cells. The molecular mechanisms underlying this translational repression remain unknown. Here, we show that the CCR4 deadenylase is required for GSC self-renewal and that Nos and Pum act through its recruitment onto specific mRNAs. We identify mei-P26 mRNA as a direct and major target of Nos/Pum/CCR4 translational repression in the GSCs. mei-P26 encodes a protein of the Trim-NHL tumor suppressor family that has conserved functions in stem cell lineages. We show that fine-tuning Mei-P26 expression by CCR4 plays a key role in GSC self-renewal. These results identify the molecular mechanism of Nos/Pum function in GSC self-renewal and reveal the role of CCR4-NOT-mediated deadenylation in regulating the balance between GSC self-renewal and differentiation. PMID:24286029

  10. The CCR4 deadenylase acts with Nanos and Pumilio in the fine-tuning of Mei-P26 expression to promote germline stem cell self-renewal.

    Science.gov (United States)

    Joly, Willy; Chartier, Aymeric; Rojas-Rios, Patricia; Busseau, Isabelle; Simonelig, Martine

    2013-01-01

    Translational regulation plays an essential role in Drosophila ovarian germline stem cell (GSC) biology. GSC self-renewal requires two translational repressors, Nanos (Nos) and Pumilio (Pum), which repress the expression of differentiation factors in the stem cells. The molecular mechanisms underlying this translational repression remain unknown. Here, we show that the CCR4 deadenylase is required for GSC self-renewal and that Nos and Pum act through its recruitment onto specific mRNAs. We identify mei-P26 mRNA as a direct and major target of Nos/Pum/CCR4 translational repression in the GSCs. mei-P26 encodes a protein of the Trim-NHL tumor suppressor family that has conserved functions in stem cell lineages. We show that fine-tuning Mei-P26 expression by CCR4 plays a key role in GSC self-renewal. These results identify the molecular mechanism of Nos/Pum function in GSC self-renewal and reveal the role of CCR4-NOT-mediated deadenylation in regulating the balance between GSC self-renewal and differentiation.

  11. Knowledge-guided golf course detection using a convolutional neural network fine-tuned on temporally augmented data

    Science.gov (United States)

    Chen, Jingbo; Wang, Chengyi; Yue, Anzhi; Chen, Jiansheng; He, Dongxu; Zhang, Xiuyan

    2017-10-01

    The tremendous success of deep learning models such as convolutional neural networks (CNNs) in computer vision provides a method for similar problems in the field of remote sensing. Although research on repurposing pretrained CNN to remote sensing tasks is emerging, the scarcity of labeled samples and the complexity of remote sensing imagery still pose challenges. We developed a knowledge-guided golf course detection approach using a CNN fine-tuned on temporally augmented data. The proposed approach is a combination of knowledge-driven region proposal, data-driven detection based on CNN, and knowledge-driven postprocessing. To confront data complexity, knowledge-derived cooccurrence, composition, and area-based rules are applied sequentially to propose candidate golf regions. To confront sample scarcity, we employed data augmentation in the temporal domain, which extracts samples from multitemporal images. The augmented samples were then used to fine-tune a pretrained CNN for golf detection. Finally, commission error was further suppressed by postprocessing. Experiments conducted on GF-1 imagery prove the effectiveness of the proposed approach.

  12. Fine-Tuned Intrinsically Ultramicroporous Polymers Redefine the Permeability/Selectivity Upper Bounds of Membrane-Based Air and Hydrogen Separations

    KAUST Repository

    Swaidan, Raja

    2015-08-20

    Intrinsically ultramicroporous (<7 Å) polymers represent a new paradigm in materials development for membrane-based gas separation. In particular, they demonstrate that uniting intrachain “rigidity”, the traditional design metric of highly permeable polymers of intrinsic microporosity (PIMs), with gas-sieving ultramicroporosity yields high-performance gas separation membranes. Highly ultramicroporous PIMs have redefined the state-of-the-art in large-scale air (e.g., O2/N2) and hydrogen recovery (e.g., H2/N2, H2/CH4) applications with unprecedented molecular sieving gas transport properties. Accordingly, presented herein are new 2015 permeability/selectivity “upper bounds” for large-scale commercial membrane-based air and hydrogen applications that accommodate the substantial performance enhancements of recent PIMs over preceding polymers. A subtle balance between intrachain rigidity and interchain spacing has been achieved in the amorphous microstructures of PIMs, fine-tuned using unique bridged-bicyclic building blocks (i.e., triptycene, ethanoanthracene and Tröger’s base) in both ladder and semiladder (e.g., polyimide) structures.

  13. Fine tuning a well-oiled machine: Influence of NK1.1 and NKG2D on NKT cell development and function.

    Science.gov (United States)

    Joshi, Sunil K; Lang, Mark L

    2013-10-01

    Natural killer T cells (NKT) represent a group of CD1d-restricted T-lineage cells that provide a functional interface between innate and adaptive immune responses in infectious disease, cancer, allergy and autoimmunity. There have been remarkable advances in understanding the molecular events that underpin NKT development in the thymus and in the complex array of functions in the periphery. Most functional studies have focused on activation of T cell antigen receptors expressed by NKT cells and their responses to CD1d presentation of glycolipid and related antigens. Receiving less attention has been several molecules that are hallmarks of Natural Killer (NK) cells, but nonetheless expressed by NKT cells. These include several activating and inhibitory receptors that may fine-tune NKT development and survival, as well as activation via antigen receptors. Herein, we review the possible roles of the NK1.1 and NKG2D receptors in regulating development and function of NKT cells in health and disease. We suggest that pharmacological alteration of NKT activity should consider the potential complexities commensurate with NK1.1 and NKG2D expression. Published by Elsevier B.V.

  14. PhMYB4 fine-tunes the floral volatile signature of Petunia x hybrida through PhC4H.

    Science.gov (United States)

    Colquhoun, Thomas A; Kim, Joo Young; Wedde, Ashlyn E; Levin, Laura A; Schmitt, Kyle C; Schuurink, Robert C; Clark, David G

    2011-01-01

    In Petunia × hybrida cv 'Mitchell Diploid' (MD), floral volatile benzenoid/phenylpropanoid (FVBP) biosynthesis is controlled spatially, developmentally, and daily at molecular, metabolic, and biochemical levels. Multiple genes have been shown to encode proteins that either directly catalyse a biochemical reaction yielding FVBP compounds or are involved in metabolite flux prior to the formation of FVBP compounds. It was hypothesized that multiple transcription factors are involved in the precise regulation of all necessary genes, resulting in the specific volatile signature of MD flowers. After acquiring all available petunia transcript sequences with homology to Arabidopsis thaliana R2R3-MYB transcription factors, PhMYB4 (named for its close identity to AtMYB4) was identified, cloned, and characterized. PhMYB4 transcripts accumulate to relatively high levels in floral tissues at anthesis and throughout open flower stages, which coincides with the spatial and developmental distribution of FVBP production and emission. Upon RNAi suppression of PhMYB4 (ir-PhMYB4) both petunia cinnamate-4-hydroxylase (PhC4H1 and PhC4H2) gene transcript levels were significantly increased. In addition, ir-PhMYB4 plants emit higher levels of FVBP compounds derived from p-coumaric acid (isoeugenol and eugenol) compared with MD. Together, these results indicate that PhMYB4 functions in the repression of C4H transcription, indirectly controlling the balance of FVBP production in petunia floral tissue (i.e. fine-tunes).

  15. Fine-tuning the Wall Thickness of Ordered Mesoporous Graphene by Exploiting Ligand Exchange of Colloidal Nanocrystals

    Science.gov (United States)

    Han, Dandan; Yan, Yancui; Wei, Jishi; Wang, Biwei; Li, Tongtao; Guo, Guannan; Yang, Dong; Xie, Songhai; Dong, Angang

    2017-12-01

    Because of their unique physical properties, three-dimensional (3D) graphene has attracted enormous attention over the past years. However, it is still a challenge to precisely control the layer thickness of 3D graphene. Here, we report a novel strategy to rationally adjust the wall thickness of ordered mesoporous graphene (OMG). By taking advantage of ligand exchange capability of colloidal Fe3O4 nanocrystals, we are able to fine-tune the wall thickness of OMG from 2 to 6 layers of graphene by tailoring the hydrocarbon ligands attached to the nanocrystal surface. When evaluated as electrocatalyst for oxygen reduction reaction upon S and N doping, the 4-layer OMG is found to show better catalytic performance compared with its 2- and 6-layer counterparts, which we attribute to the enhanced exposure of active sites resulting from its ultrathin wall thickness and high surface area.

  16. Functional Role of PPARs in Ruminants: Potential Targets for Fine-Tuning Metabolism during Growth and Lactation

    Science.gov (United States)

    Chen, Shuowen; Khan, Muhammad J.; Loor, Juan J.

    2013-01-01

    Characterization and biological roles of the peroxisome proliferator-activated receptor (PPAR) isotypes are well known in monogastrics, but not in ruminants. However, a wealth of information has accumulated in little more than a decade on ruminant PPARs including isotype tissue distribution, response to synthetic and natural agonists, gene targets, and factors affecting their expression. Functional characterization demonstrated that, as in monogastrics, the PPAR isotypes control expression of genes involved in lipid metabolism, anti-inflammatory response, development, and growth. Contrary to mouse, however, the PPARγ gene network appears to controls milk fat synthesis in lactating ruminants. As in monogastrics, PPAR isotypes in ruminants are activated by long-chain fatty acids, therefore, making them ideal candidates for fine-tuning metabolism in this species via nutrients. In this regard, using information accumulated in ruminants and monogastrics, we propose a model of PPAR isotype-driven biological functions encompassing key tissues during the peripartal period in dairy cattle. PMID:23737762

  17. Using membrane composition to fine-tune the pKa of an optical liposome pH sensor.

    Science.gov (United States)

    Clear, Kasey J; Virga, Katelyn; Gray, Lawrence; Smith, Bradley D

    2016-04-14

    Liposomes containing membrane-anchored pH-sensitive optical probes are valuable sensors for monitoring pH in various biomedical samples. The dynamic range of the sensor is maximized when the probe p K a is close to the expected sample pH. While some biomedical samples are close to neutral pH there are several circumstances where the pH is 1 or 2 units lower. Thus, there is a need to fine-tune the probe p K a in a predictable way. This investigation examined two lipid-conjugated optical probes, each with appended deep-red cyanine dyes containing indoline nitrogen atoms that are protonated in acid. The presence of anionic phospholipids in the liposomes stabilized the protonated probes and increased the probe p K a values by sensor for optimal pH sensing performance.

  18. Fine-Tuning the Wall Thickness of Ordered Mesoporous Graphene by Exploiting Ligand Exchange of Colloidal Nanocrystals

    Directory of Open Access Journals (Sweden)

    Dandan Han

    2017-12-01

    Full Text Available Because of their unique physical properties, three-dimensional (3D graphene has attracted enormous attention over the past years. However, it is still a challenge to precisely control the layer thickness of 3D graphene. Here, we report a novel strategy to rationally adjust the wall thickness of ordered mesoporous graphene (OMG. By taking advantage of ligand exchange capability of colloidal Fe3O4 nanocrystals, we are able to fine-tune the wall thickness of OMG from 2 to 6 layers of graphene. When evaluated as electrocatalyst for oxygen reduction reaction upon S and N doping, the 4-layer OMG is found to show better catalytic performance compared with their 2- and 6-layer counterparts, which we attribute to the enhanced exposure of active sites arising from the thin wall thickness and high surface area.

  19. Fine-tuning the onset of myogenesis by homeobox proteins that interact with the Myf5 limb enhancer

    Science.gov (United States)

    Daubas, Philippe; Duval, Nathalie; Bajard, Lola; Langa Vives, Francina; Robert, Benoît; Mankoo, Baljinder S.; Buckingham, Margaret

    2015-01-01

    ABSTRACT Skeletal myogenesis in vertebrates is initiated at different sites of skeletal muscle formation during development, by activation of specific control elements of the myogenic regulatory genes. In the mouse embryo, Myf5 is the first myogenic determination gene to be expressed and its spatiotemporal regulation requires multiple enhancer sequences, extending over 120 kb upstream of the Mrf4-Myf5 locus. An enhancer, located at −57/−58 kb from Myf5, is responsible for its activation in myogenic cells derived from the hypaxial domain of the somite, that will form limb muscles. Pax3 and Six1/4 transcription factors are essential activators of this enhancer, acting on a 145-bp core element. Myogenic progenitor cells that will form the future muscle masses of the limbs express the factors necessary for Myf5 activation when they delaminate from the hypaxial dermomyotome and migrate into the forelimb bud, however they do not activate Myf5 and the myogenic programme until they have populated the prospective muscle masses. We show that Msx1 and Meox2 homeodomain-containing transcription factors bind in vitro and in vivo to specific sites in the 145-bp element, and are implicated in fine-tuning activation of Myf5 in the forelimb. Msx1, when bound between Pax and Six sites, prevents the binding of these key activators, thus inhibiting transcription of Myf5 and consequent premature myogenic differentiation. Meox2 is required for Myf5 activation at the onset of myogenesis via direct binding to other homeodomain sites in this sequence. Thus, these homeodomain factors, acting in addition to Pax3 and Six1/4, fine-tune the entry of progenitor cells into myogenesis at early stages of forelimb development. PMID:26538636

  20. Fine-tuning the onset of myogenesis by homeobox proteins that interact with the Myf5 limb enhancer

    Directory of Open Access Journals (Sweden)

    Philippe Daubas

    2015-12-01

    Full Text Available Skeletal myogenesis in vertebrates is initiated at different sites of skeletal muscle formation during development, by activation of specific control elements of the myogenic regulatory genes. In the mouse embryo, Myf5 is the first myogenic determination gene to be expressed and its spatiotemporal regulation requires multiple enhancer sequences, extending over 120 kb upstream of the Mrf4-Myf5 locus. An enhancer, located at −57/−58 kb from Myf5, is responsible for its activation in myogenic cells derived from the hypaxial domain of the somite, that will form limb muscles. Pax3 and Six1/4 transcription factors are essential activators of this enhancer, acting on a 145-bp core element. Myogenic progenitor cells that will form the future muscle masses of the limbs express the factors necessary for Myf5 activation when they delaminate from the hypaxial dermomyotome and migrate into the forelimb bud, however they do not activate Myf5 and the myogenic programme until they have populated the prospective muscle masses. We show that Msx1 and Meox2 homeodomain-containing transcription factors bind in vitro and in vivo to specific sites in the 145-bp element, and are implicated in fine-tuning activation of Myf5 in the forelimb. Msx1, when bound between Pax and Six sites, prevents the binding of these key activators, thus inhibiting transcription of Myf5 and consequent premature myogenic differentiation. Meox2 is required for Myf5 activation at the onset of myogenesis via direct binding to other homeodomain sites in this sequence. Thus, these homeodomain factors, acting in addition to Pax3 and Six1/4, fine-tune the entry of progenitor cells into myogenesis at early stages of forelimb development.

  1. Balancing the Stability–Activity Trade-Off by Fine-Tuning Dehalogenase Access Tunnels

    Czech Academy of Sciences Publication Activity Database

    Lišková, V.; Bednář, D.; Prudnikova, Tatyana; Řezáčová, P.; Koudeláková, T.; Šebestová, E.; Kutá-Smatanová, Ivana; Březovský, J.; Chaloupková, R.; Damborský, J.

    2015-01-01

    Roč. 7, č. 4 (2015), s. 648-659 ISSN 1867-3880 Institutional support: RVO:67179843 Keywords : alkanes * enzymes * catalysis * halogenation * molecular dynamics * protein engineering Subject RIV: CE - Biochemistry Impact factor: 4.724, year: 2015

  2. In response to partial plant shading, the lack of phytochrome A does not directly induce leaf senescence but alters the fine-tuning of chlorophyll biosynthesis

    Science.gov (United States)

    Brouwer, Bastiaan; Gardeström, Per; Keech, Olivier

    2014-01-01

    Phytochrome is thought to control the induction of leaf senescence directly, however, the signalling and molecular mechanisms remain unclear. In the present study, an ecophysiological approach was used to establish a functional connection between phytochrome signalling and the physiological processes underlying the induction of leaf senescence in response to shade. With shade it is important to distinguish between complete and partial shading, during which either the whole or only a part of the plant is shaded, respectively. It is first shown here that, while PHYB is required to maintain chlorophyll content in a completely shaded plant, only PHYA is involved in maintaining the leaf chlorophyll content in response to partial plant shading. Second, it is shown that leaf yellowing associated with strong partial shading in phyA-mutant plants actually correlates to a decreased biosynthesis of chlorophyll rather than to an increase of its degradation. Third, it is shown that the physiological impact of this decreased biosynthesis of chlorophyll in strongly shaded phyA-mutant leaves is accompanied by a decreased capacity to adjust the Light Compensation Point. However, the increased leaf yellowing in phyA-mutant plants is not accompanied by an increase of senescence-specific molecular markers, which argues against a direct role of PHYA in inducing leaf senescence in response to partial shade. In conclusion, it is proposed that PHYA, but not PHYB, is essential for fine-tuning the chlorophyll biosynthetic pathway in response to partial shading. In turn, this mechanism allows the shaded leaf to adjust its photosynthetic machinery to very low irradiances, thus maintaining a positive carbon balance and repressing the induction of leaf senescence, which can occur under prolonged periods of shade. PMID:24604733

  3. Balancing the Stability-Activity Trade-Off by Fine-Tuning Dehalogenase Access Tunnels

    Czech Academy of Sciences Publication Activity Database

    Liskova, V.; Bednář, D.; Prudníková, T.; Řezáčová, Pavlína; Koudeláková, T.; Šebestová, E.; Smatanová, I.K.; Brezovský, J.; Chaloupková, R.

    2015-01-01

    Roč. 7, č. 4 (2015), s. 648-659 ISSN 1867-3880 Grant - others:GA ČR(CZ) GAP207/12/0775; GA MŠk(CZ) LO1214; GA MŠk(CZ) LH14027; European Social Fund(XE) CZ.1.07/2.3.00/30.0037 Program:GA Institutional support: RVO:68378050 Keywords : alkanes * halogenation * molecular dynamics * enzyme catalysis * protein engineering Subject RIV: EB - Genetics ; Molecular Biology Impact factor: 4.724, year: 2015

  4. Dancing to a Different Tune: Adaptive Evolution Fine-Tunes Protein Dynamics

    Science.gov (United States)

    2015-09-01

    efficiency at low temperatures when the enzymes from mesophilic bacteria were evolved to have stabilities as high as their thermophilic homologs. The work...wild-type enzyme . This unfolding temperature is relatively high for a non- thermophilic enzyme ,15 as mesophilic enzymes typically unfold below 60 °C...The work described in this thesis provides a case study exploring the molecular changes underlying adaptive evolution in a key allosteric enzyme . It

  5. A Transcriptional Regulatory Mechanism Finely Tunes the Firing of Type VI Secretion System in Response to Bacterial Enemies.

    Science.gov (United States)

    Lazzaro, Martina; Feldman, Mario F; García Véscovi, Eleonora

    2017-08-22

    The ability to detect and measure danger from an environmental signal is paramount for bacteria to respond accordingly, deploying strategies that halt or counteract potential cellular injury and maximize survival chances. Type VI secretion systems (T6SSs) are complex bacterial contractile nanomachines able to target toxic effectors into neighboring bacteria competing for the same colonization niche. Previous studies support the concept that either T6SSs are constitutively active or they fire effectors in response to various stimuli, such as high bacterial density, cell-cell contact, nutrient depletion, or components from dead sibling cells. For Serratia marcescens , it has been proposed that its T6SS is stochastically expressed, with no distinction between harmless or aggressive competitors. In contrast, we demonstrate that the Rcs regulatory system is responsible for finely tuning Serratia T6SS expression levels, behaving as a transcriptional rheostat. When confronted with harmless bacteria, basal T6SS expression levels suffice for Serratia to eliminate the competitor. A moderate T6SS upregulation is triggered when, according to the aggressor-prey ratio, an unbalanced interplay between homologous and heterologous effectors and immunity proteins takes place. Higher T6SS expression levels are achieved when Serratia is challenged by a contender like Acinetobacter , which indiscriminately fires heterologous effectors able to exert lethal cellular harm, threatening the survival of the Serratia population. We also demonstrate that Serratia 's RcsB-dependent T6SS regulatory mechanism responds not to general stress signals but to the action of specific effectors from competitors, displaying an exquisite strategy to weigh risks and keep the balance between energy expenditure and fitness costs. IMPORTANCE Serratia marcescens is among the health-threatening pathogens categorized by the WHO as research priorities to develop alternative antimicrobial strategies, and it was

  6. Rational design and evolutional fine tuning of Saccharomyces cerevisiae for biomass breakdown.

    Science.gov (United States)

    Hasunuma, Tomohisa; Ishii, Jun; Kondo, Akihiko

    2015-12-01

    Conferring biomass hydrolysis activity on yeast through genetic engineering has paved the way for the development of groundbreaking processes for producing liquid fuels and commodity chemicals from lignocellulosic biomass. However, the overproduction and misfolding of heterologous and endogenous proteins can trigger cellular stress, increasing the metabolic burden and retarding growth. Improving the efficiency of lignocellulosic breakdown requires engineering of yeast secretory pathway based on system-wide metabolic analysis as well as DNA constructs for enhanced cellulase gene expression with advanced molecular biology tools. Also, yeast is subjected to severe stress due to toxic compounds generated during lignocellulose pretreatment in consolidated saccharification and fermentation processes. The prospect for development of robust yeast strains makes combining evolutionary and rational engineering strategies. Copyright © 2015 Elsevier Ltd. All rights reserved.

  7. Fine-tuning the CAR spacer improves T-cell potency

    Science.gov (United States)

    Watanabe, Norihiro; Bajgain, Pradip; Sukumaran, Sujita; Ansari, Salma; Heslop, Helen E.; Rooney, Cliona M.; Brenner, Malcolm K.; Leen, Ann M.; Vera, Juan F.

    2016-01-01

    ABSTRACT The adoptive transfer of genetically engineered T cells expressing chimeric antigen receptors (CARs) has emerged as a transformative cancer therapy with curative potential, precipitating a wave of preclinical and clinical studies in academic centers and the private sector. Indeed, significant effort has been devoted to improving clinical benefit by incorporating accessory genes/CAR endodomains designed to enhance cellular migration, promote in vivo expansion/persistence or enhance safety by genetic programming to enable the recognition of a tumor signature. However, our efforts centered on exploring whether CAR T-cell potency could be enhanced by modifying pre-existing CAR components. We now demonstrate how molecular refinements to the CAR spacer can impact multiple biological processes including tonic signaling, cell aging, tumor localization, and antigen recognition, culminating in superior in vivo antitumor activity. PMID:28180032

  8. Fine tuning of the temporal expression of HTLV-1 and HTLV-2

    Directory of Open Access Journals (Sweden)

    Ilaria eCavallari

    2013-09-01

    Full Text Available Human T-cell leukemia virus types 1 and 2 (HTLV-1 and HTLV-2 are deltaretroviruses that share a common overall genetic organization, splicing pattern, and ability to infect and immortalize T-cells in vitro. However, HTLV-1 and HTLV-2 exhibit a clearly distinct pathogenic potential in infected patients. To find clues to the possible viral determinants of the biology of these viruses, recent studies investigated the timing of expression and the intracellular compartmentalization of viral transcripts in ex-vivo samples from infected patients.Results of these studies revealed a common overall pattern of expression of HTLV-1 and -2 with a two-phase kinetics of expression and a nuclear accumulation of minus-strand transcripts. Studies in cells transfected with HTLV-1 molecular clones demonstrated the strict Rex-dependency of this "two-phase" kinetics. These studies also highlighted interesting differences in the relative abundance of transcripts encoding the Tax and Rex regulatory proteins, and that of the accessory proteins controlling Rex expression and function, thus suggesting a potential basis for the different pathobiology of the two viruses.

  9. Fine tuning of reactive oxygen species homeostasis regulates primed immune responses in Arabidopsis.

    Science.gov (United States)

    Pastor, Victoria; Luna, Estrella; Ton, Jurriaan; Cerezo, Miguel; García-Agustín, Pilar; Flors, Victor

    2013-11-01

    Selected stimuli can prime the plant immune system for a faster and stronger defense reaction to pathogen attack. Pretreatment of Arabidopsis with the chemical agent β-aminobutyric acid (BABA) augmented H2O2 and callose production after induction with the pathogen-associated molecular pattern (PAMP) chitosan, or inoculation with the necrotrophic fungus Plectosphaerella cucumerina. However, BABA failed to prime H2O2 and callose production after challenge with the bacterial PAMP Flg22. Analysis of Arabidopsis mutants in reactive oxygen species (ROS) production (rbohD) or ROS scavenging (pad2, vtc1, and cat2) suggested a regulatory role for ROS homeostasis in priming of chitosan- and P. cucumerina-inducible callose and ROS. Moreover, rbohD and pad2 were both impaired in BABA-induced resistance against P. cucumerina. Gene expression analysis revealed direct induction of NADPH/respiratory burst oxidase protein D (RBOHD), γ-glutamylcysteine synthetase 1 (GSH1), and vitamin C defective 1 (VTC1) genes after BABA treatment. Conversely, ascorbate peroxidase 1 (APX1) transcription was repressed by BABA after challenge with chitosan or P. cucumerina, probably to provide a more oxidized environment in the cell and facilitate augmented ROS accumulation. Measuring ratios between reduced and oxidized glutathione confirmed that augmented defense expression in primed plants is associated with a more oxidized cellular status. Together, our data indicate that an altered ROS equilibrium is required for augmented defense expression in primed plants.

  10. Fine-tuning translation kinetics selection as the driving force of codon usage bias in the hepatitis A virus capsid.

    Science.gov (United States)

    Aragonès, Lluís; Guix, Susana; Ribes, Enric; Bosch, Albert; Pintó, Rosa M

    2010-03-05

    Hepatitis A virus (HAV), the prototype of genus Hepatovirus, has several unique biological characteristics that distinguish it from other members of the Picornaviridae family. Among these, the need for an intact eIF4G factor for the initiation of translation results in an inability to shut down host protein synthesis by a mechanism similar to that of other picornaviruses. Consequently, HAV must inefficiently compete for the cellular translational machinery and this may explain its poor growth in cell culture. In this context of virus/cell competition, HAV has strategically adopted a naturally highly deoptimized codon usage with respect to that of its cellular host. With the aim to optimize its codon usage the virus was adapted to propagate in cells with impaired protein synthesis, in order to make tRNA pools more available for the virus. A significant loss of fitness was the immediate response to the adaptation process that was, however, later on recovered and more associated to a re-deoptimization rather than to an optimization of the codon usage specifically in the capsid coding region. These results exclude translation selection and instead suggest fine-tuning translation kinetics selection as the underlying mechanism of the codon usage bias in this specific genome region. Additionally, the results provide clear evidence of the Red Queen dynamics of evolution since the virus has very much evolved to re-adapt its codon usage to the environmental cellular changing conditions in order to recover the original fitness.

  11. Fine-tuning translation kinetics selection as the driving force of codon usage bias in the hepatitis A virus capsid.

    Directory of Open Access Journals (Sweden)

    Lluís Aragonès

    2010-03-01

    Full Text Available Hepatitis A virus (HAV, the prototype of genus Hepatovirus, has several unique biological characteristics that distinguish it from other members of the Picornaviridae family. Among these, the need for an intact eIF4G factor for the initiation of translation results in an inability to shut down host protein synthesis by a mechanism similar to that of other picornaviruses. Consequently, HAV must inefficiently compete for the cellular translational machinery and this may explain its poor growth in cell culture. In this context of virus/cell competition, HAV has strategically adopted a naturally highly deoptimized codon usage with respect to that of its cellular host. With the aim to optimize its codon usage the virus was adapted to propagate in cells with impaired protein synthesis, in order to make tRNA pools more available for the virus. A significant loss of fitness was the immediate response to the adaptation process that was, however, later on recovered and more associated to a re-deoptimization rather than to an optimization of the codon usage specifically in the capsid coding region. These results exclude translation selection and instead suggest fine-tuning translation kinetics selection as the underlying mechanism of the codon usage bias in this specific genome region. Additionally, the results provide clear evidence of the Red Queen dynamics of evolution since the virus has very much evolved to re-adapt its codon usage to the environmental cellular changing conditions in order to recover the original fitness.

  12. Hierarchical interactions between Fnr orthologs allows fine-tuning of transcription in response to oxygen in Herbaspirillum seropedicae.

    Science.gov (United States)

    Batista, Marcelo Bueno; Chandra, Govind; Monteiro, Rose Adele; de Souza, Emanuel Maltempi; Dixon, Ray

    2018-05-04

    Bacteria adjust the composition of their electron transport chain (ETC) to efficiently adapt to oxygen gradients. This involves differential expression of various ETC components to optimize energy generation. In Herbaspirillum seropedicae, reprogramming of gene expression in response to oxygen availability is controlled at the transcriptional level by three Fnr orthologs. Here, we characterised Fnr regulons using a combination of RNA-Seq and ChIP-Seq analysis. We found that Fnr1 and Fnr3 directly regulate discrete groups of promoters (Groups I and II, respectively), and that a third group (Group III) is co-regulated by both transcription factors. Comparison of DNA binding motifs between the three promoter groups suggests Group III promoters are potentially co-activated by Fnr3-Fnr1 heterodimers. Specific interaction between Fnr1 and Fnr3, detected in two-hybrid assays, was dependent on conserved residues in their dimerization interfaces, indicative of heterodimer formation in vivo. The requirements for co-activation of the fnr1 promoter, belonging to Group III, suggest either sequential activation by Fnr3 and Fnr1 homodimers or the involvement of Fnr3-Fnr1 heterodimers. Analysis of Fnr proteins with swapped activation domains provides evidence that co-activation by Fnr1 and Fnr3 at Group III promoters optimises interactions with RNA polymerase to fine-tune transcription in response to prevailing oxygen concentrations.

  13. Automatic recognition of 3D GGO CT imaging signs through the fusion of hybrid resampling and layer-wise fine-tuning CNNs.

    Science.gov (United States)

    Han, Guanghui; Liu, Xiabi; Zheng, Guangyuan; Wang, Murong; Huang, Shan

    2018-06-06

    Ground-glass opacity (GGO) is a common CT imaging sign on high-resolution CT, which means the lesion is more likely to be malignant compared to common solid lung nodules. The automatic recognition of GGO CT imaging signs is of great importance for early diagnosis and possible cure of lung cancers. The present GGO recognition methods employ traditional low-level features and system performance improves slowly. Considering the high-performance of CNN model in computer vision field, we proposed an automatic recognition method of 3D GGO CT imaging signs through the fusion of hybrid resampling and layer-wise fine-tuning CNN models in this paper. Our hybrid resampling is performed on multi-views and multi-receptive fields, which reduces the risk of missing small or large GGOs by adopting representative sampling panels and processing GGOs with multiple scales simultaneously. The layer-wise fine-tuning strategy has the ability to obtain the optimal fine-tuning model. Multi-CNN models fusion strategy obtains better performance than any single trained model. We evaluated our method on the GGO nodule samples in publicly available LIDC-IDRI dataset of chest CT scans. The experimental results show that our method yields excellent results with 96.64% sensitivity, 71.43% specificity, and 0.83 F1 score. Our method is a promising approach to apply deep learning method to computer-aided analysis of specific CT imaging signs with insufficient labeled images. Graphical abstract We proposed an automatic recognition method of 3D GGO CT imaging signs through the fusion of hybrid resampling and layer-wise fine-tuning CNN models in this paper. Our hybrid resampling reduces the risk of missing small or large GGOs by adopting representative sampling panels and processing GGOs with multiple scales simultaneously. The layer-wise fine-tuning strategy has ability to obtain the optimal fine-tuning model. Our method is a promising approach to apply deep learning method to computer-aided analysis

  14. Au@Ag core-shell nanocubes with finely tuned and well-controlled sizes, shell thicknesses, and optical properties.

    Science.gov (United States)

    Ma, Yanyun; Li, Weiyang; Cho, Eun Chul; Li, Zhiyuan; Yu, Taekyung; Zeng, Jie; Xie, Zhaoxiong; Xia, Younan

    2010-11-23

    This paper describes a facile method for generating Au@Ag core-shell nanocubes with edge lengths controllable in the range of 13.4-50 nm. The synthesis involved the use of single-crystal, spherical Au nanocrystals of 11 nm in size as the seeds in an aqueous system, with ascorbic acid serving as the reductant and cetyltrimethylammonium chloride (CTAC) as the capping agent. The thickness of the Ag shells could be finely tuned from 1.2 to 20 nm by varying the ratio of AgNO(3) precursor to Au seeds. We also investigated the growth mechanism by examining the effects of seeds (capped by CTAC or cetyltrimethylammonium bromide(CTAB)) and capping agent (CTAC vs CTAB) on both size and shape of the resultant core-shell nanocrystals. Our results clearly indicate that CTAC worked much better than CTAB as a capping agent in both the syntheses of Au seeds and Au@Ag core-shell nanocubes. We further studied the localized surface plasmon resonance properties of the Au@Ag nanocubes as a function of the Ag shell thickness. By comparing with the extinction spectra obtained from theoretical calculations, we derived a critical value of ca. 3 nm for the shell thickness at which the plasmon excitation of the Au cores would be completely screened by the Ag shells. Moreover, these Au@Ag core-shell nanocubes could be converted into Au-based hollow nanostructures containing the original Au seeds in the interiors through a galvanic replacement reaction.

  15. Evaluation of heart tissue viability under redox-magnetohydrodynamics conditions: toward fine-tuning flow in biological microfluidics applications.

    Science.gov (United States)

    Cheah, Lih Tyng; Fritsch, Ingrid; Haswell, Stephen J; Greenman, John

    2012-07-01

    A microfluidic system containing a chamber for heart tissue biopsies, perfused with Krebs-Henseleit buffer containing glucose and antibiotic (KHGB) using peristaltic pumps and continuously stimulated, was used to evaluate tissue viability under redox-magnetohydrodynamics (redox-MHD) conditions. Redox-MHD possesses unique capabilities to control fluid flow using ionic current from oxidation and reduction processes at electrodes in a magnetic field, making it attractive to fine-tune fluid flow around tissues for "tissue-on-a-chip" applications. The manuscript describes a parallel setup to study two tissue samples simultaneously, and 6-min static incubation with Triton X100. Tissue viability was subsequently determined by assaying perfusate for lactate dehydrogenase (LDH) activity, where LDH serves as an injury marker. Incubation with KHGB containing 5 mM hexaammineruthenium(III) (ruhex) redox species with and without a pair of NdFeB magnets (∼ 0.39 T, placed parallel to the chamber) exhibited no additional tissue insult. MHD fluid flow, viewed by tracking microbeads with microscopy, occurred only when the magnet was present and stimulating electrodes were activated. Pulsating MHD flow with a frequency similar to the stimulating waveform was superimposed over thermal convection (from a hotplate) for Triton-KHGB, but fluid speed was up to twice as fast for ruhex-Triton-KHGB. A large transient ionic current, achieved when switching on the stimulating electrodes, generates MHD perturbations visible over varying peristaltic flow. The well-controlled flow methodology of redox-MHD is applicable to any tissue type, being useful in various drug uptake and toxicity studies, and can be combined equally with on- or off-device analysis modalities. Copyright © 2012 Wiley Periodicals, Inc.

  16. Metal–organic frameworks to satisfy gas upgrading demands: fine-tuning the soc-MOF platform for the operative removal of H2S

    KAUST Repository

    Belmabkhout, Youssef

    2017-01-06

    A cooperative experimental/modeling strategy was used to unveil the structure/gas separation performance relationship for a series of isostructural metal-organic frameworks (MOFs) with soc-topology (square-octahedral) hosting different extra-framework counter ions (NO3-, Cl- and Br-). In3+-, Fe3+-, Ga3+-and the newly isolated Al(III)-based isostructural soc-MOF were extensively studied and evaluated for the separation-based production of high-quality fuels (i.e., CH4, C3H8 and n-C4H10) and olefins. The structural/chemical fine-tuning of the soc-MOF platform promoted equilibrium-based selectivity toward C2+ (C2H6, C2H4, C3H6 C3H8 and n-C4H10) and conferred the desired chemical stability toward H2S. The noted dual chemical stability and gas/vapor selectivity, which have rarely been reported for equilibrium-based separation agents, are essential for the production of high-purity H-2, CH4 and C2+ fractions in high yields. Interestingly, the evaluated soc-MOF analogues exhibited high selectivity for C2H4, C3H6 and n-C4H10. In particular, the Fe, Ga and Al analogues presented relatively enhanced C2+/CH4 adsorption selectivities. Notably, the Ga and Al analogues were found to be technically preferable because their structural integrities and separation performances were maintained upon exposure to H2S, indicating that these materials are highly tolerant to H2S. Therefore, the Ga-soc-MOF was further examined for the selective adsorption of H2S in the presence of CO2-and CH4-containing streams, such as refinery-off gases (ROG) and natural gas (NG). Grand canonical Monte Carlo (GCMC) simulations based on a specific force field describing the interactions between the guest molecules and the Ga sites supported and confirmed the considerably higher affinity of the Ga-soc-MOF for C2+ (as exemplified by n-C4H10) than for CH4. The careful selection of an appropriate metal for the trinuclear inorganic molecular building block (MBB), i. e., a Ga metal center, imbues the soc

  17. Dynamical Upheaval in Ice Giant Formation: A Solution to the Fine-tuning Problem in the Formation Story

    Science.gov (United States)

    Frelikh, Renata; Murray-Clay, Ruth

    2018-04-01

    We report on our recent theoretical work, where we suggest that a protoplanetary disk dynamical instability may have played a crucial role in determining the atmospheric size of the solar system’s ice giants. In contrast to the gas giants, the intermediate-size ice giants never underwent runaway gas accretion in a full gas disk. However, as their substantial core masses are comparable to those of the gas giants, they would have gone runaway, given enough time. In the standard scenario, the ice giants stay at roughly their current size for most of the disk lifetime, undergoing period of slow gas accretion onto ~full-sized cores that formed early-on. The gas disk dissipates before the ice giants accumulate too much gas, but we believe this is fine tuned. A considerable amount of solids is observed in outer disks in mm-to-cm sized particles (pebbles). Assisted by gas drag, these pebbles rapidly accrete onto cores. This would cause the growing ice giants to exceed their current core masses, and quickly turn into gas giants. To resolve this problem, we propose that Uranus and Neptune stayed small for the bulk of the disk lifetime. They only finished their core and atmospheric growth in a short timeframe just as the disk gas dissipated, accreting most of their gas from a disk depleted to ~1% of its original mass. The ice giants have atmospheric mass fractions comparable to the disk gas-to-solid ratio of this depleted disk. This coincides with a disk dynamical upheaval onset by the depletion of gas. We propose that the cores started growing closer-in, where they were kept small by proximity to Jupiter and Saturn. As the gas cleared, the cores were kicked out by the gas giants. Then, they finished their core growth and accreted their atmospheres from the remaining, sparse gas at their current locations. We predict that the gas giants may play a key role in forming intermediate-size atmospheres in the outer disk.

  18. ΔF = 2 observables and fine-tuning in a warped extra dimension with custodial protection

    International Nuclear Information System (INIS)

    Blanke, Monika; Buras, Andrzej J.; Duling, Bjoern; Gori, Stefania; Weiler, Andreas

    2009-01-01

    We present a complete study of ΔS = 2 and ΔB = 2 processes in a warped extra dimensional model with a custodial protection of Zb L b-bar L , including ε K , ΔM K , ΔM s , ΔM d , A SL q , ΔΓ q , A CP (B d →ψK S ) and A CP (B s →ψφ). These processes are affected by tree level contributions from Kaluza-Klein gluons, the heavy KK photon, new heavy electroweak gauge bosons Z H and Z', and in principle by tree level Z contributions. We confirm recent findings that the fully anarchic approach where all the hierarchies in quark masses and weak mixing angles are geometrically explained seems implausible and we confirm that the KK mass scale M KK generically has to be at least ∼ 20 TeV to satisfy the ε K constraint. We point out, however, that there exist regions in parameter space with only modest fine-tuning in the 5D Yukawa couplings which satisfy all existing ΔF = 2 and electroweak precision constraints for scales M KK ≅ 3 TeV in reach of the LHC. Simultaneously we find that A CP (B s → ψφ) and A s SL can be much larger than in the SM as indicated by recent results from CDF and DOe data. We point out that for B d,s physics ΔF = 2 observables the complex (Z H ,Z') can compete with KK gluons, while the tree level Z and KK photon contributions are very small. In particular we point out that the Zd i L d-bar j L couplings are protected by the custodial symmetry. As a by-product we show the relation of the RS flavour model to the Froggatt-Nielsen mechanism and we provide analytic formulae for the effective flavour mixing matrices in terms of the fundamental 5D parameters.

  19. Efficiency analysis of using tailored individual doses of radioiodine and fine tuning using a low-dose antithyroid drug in the treatment of Graves' disease.

    Science.gov (United States)

    Liu, Chang-Jiang; Dong, Yan-Yu; Wang, Yi-Wei; Wang, Kai-Hua; Zeng, Qun-Yan

    2011-03-01

    To evaluate the effect of using tailored individual doses of radioiodine (¹³¹I) and fine tuning using low-dose antithyroid drug (ATD) in the treatment of Graves' disease, and an attempt to establish a therapeutic strategy that can keep both high rate of euthyroidism and low incidence of hypothyroidism. The dose of radioiodine was calculated using the calculated dose formula, and low-dose ATD was used as a way of fine tuning during follow-up. The intended dose of radioiodine was modified according to the patient's age at radioiodine therapy, thyroid size, and duration of hyperthyroidism before radioiodine therapy in the study group; it was set as 2.96 MBq/g of thyroid in the control group. Twenty patients with Graves' disease were nonrandomly assigned to the control group and 98 patients with Graves' disease to the study group. The outcomes, which included euthyroidism, hypothyroidism, and persistent hyperthyroidism, were determined according to the patients' states at the end of follow-up. In the study group, 74 patients (75.5%) achieved the euthyroid state, six patients (6.1%) became hypothyroid, and 18 patients (18.4%) remained hyperthyroid. The rate of euthyroidism was statistically different between the study group and the control group (75.5 vs. 50%, P=0.03). Of 98 patients with Graves' disease in the study group, 19 patients were additionally treated with ATD during follow-up, and 12 patients achieved euthyroidism. In different age groups or duration of hyperthyroidism groups, the rate of euthyroidism was not statistically different among subgroups of goiter grade 1, grade 2, and grade 3 (P>0.05). Similarly, in different age groups or duration of hyperthyroidism groups, the incidence of hypothyroidism was not statistically different among subgroups of goiter grade 1, grade 2, and grade 3 (P>0.05). However, binary logistic regression analysis showed that thyroid size was associated with overtreatment and undertreatment in our study. Individual doses of

  20. Loss of Kdm5c Causes Spurious Transcription and Prevents the Fine-Tuning of Activity-Regulated Enhancers in Neurons

    Directory of Open Access Journals (Sweden)

    Marilyn Scandaglia

    2017-10-01

    Full Text Available During development, chromatin-modifying enzymes regulate both the timely establishment of cell-type-specific gene programs and the coordinated repression of alternative cell fates. To dissect the role of one such enzyme, the intellectual-disability-linked lysine demethylase 5C (Kdm5c, in the developing and adult brain, we conducted parallel behavioral, transcriptomic, and epigenomic studies in Kdm5c-null and forebrain-restricted inducible knockout mice. Together, genomic analyses and functional assays demonstrate that Kdm5c plays a critical role as a repressor responsible for the developmental silencing of germline genes during cellular differentiation and in fine-tuning activity-regulated enhancers during neuronal maturation. Although the importance of these functions declines after birth, Kdm5c retains an important genome surveillance role preventing the incorrect activation of non-neuronal and cryptic promoters in adult neurons.

  1. Fine-Tuning of Polymeric Resins and their Interfaces with Amorphous Calcium Phosphate. A Strategy for Designing Effective Remineralizing Dental Composites

    Directory of Open Access Journals (Sweden)

    Drago Skrtic

    2010-09-01

    Full Text Available For over a decade our group has been designing, preparing and evaluating bioactive, remineralizing composites based on amorphous calcium phosphate (ACP fillers embedded in polymerized methacrylate resin matrices. In these studies a major focus has been on exploring structure-property relationships of the matrix phase of these composites on their anti-cariogenic potential. The main challenges were to gain a better understanding of polymer matrix/filler interfacial properties through controlling the surface properties of the fillers or through fine-tuning of the resin matrix. In this work, we describe the effect of chemical structure and composition of the resin matrices on some of the critical physicochemical properties of the copolymers and their ACP composites. Such structure-property studies are essential in formulating clinically effective products, and this knowledge base is likely to have strong impact on the future design of therapeutic materials, appropriate for mineral restoration in defective tooth structures.

  2. Formation of semi-IPN membrane composed of crosslinked SPS-[PVdF-co-HFP/Nafion] for application in DMFC: A fine tuning between crosslinker and initiator

    Energy Technology Data Exchange (ETDEWEB)

    Kumar, Piyush; Kundu, Patit Paban, E-mail: ppk923@yahoo.com

    2015-08-15

    The semi-interpenetrating (semi-IPN) membrane composed of crosslinked sulfonated polystyrene (SPS) within the host blend of PVdF-co-HFP (Polyvinylidenefluoride-co-hexafluoropropylene) and Nafion has already been tested as a promising polymer electrolyte membrane (PEM) in terms of improved water uptake, proton conductivity and electrical efficiency for application in the direct methanol fuel cell (DMFC). These desired results have generated further curiosity about a fine tuning between the contents of divinyl benzene (DVB) as a crosslinker and azobisisobutyronitrile (AIBN) as an initiator for the optimization of PEM characteristics. It has been observed that an increase in AIBN content leads to an acceptable degree of water uptake, swelling ratio and proton conductivity in PEM, while higher DVB content causes declined methanol crossover, leading to higher membrane selectivity. These two opposing effects are optimized in terms of proton conductivity, tensile strength and membrane selectivity for the membrane consisting of 0.4 wt% of AIBN and 1.2 wt% of DVB. Moreover, the maximum power density obtained for the membrane having optimum selectivity is 56 mW cm{sup −2}, when analyzed at 90 °C. These results indicate that one can achieve a high power density in comparison to Nafion by fine tuning the contents of initiator and cross-linker during the synthesis of the semi-IPN membrane. - Graphical abstract: Display Omitted - Highlights: • PEM composed of 0.4/1.2 wt% of AIBN/DVB produced best result. • Lower methanol crossover (1.02 × 10{sup −6} cm{sup 2} s{sup −1}) compare to Nafion-117. • Higher membrane selectivity i.e 3.05 × 10{sup 4} Ss cm{sup −3} was obtained. • A maximum power density of 56 mW cm{sup −2} was obtained at 90 °C.

  3. Deep learning in breast cancer risk assessment: evaluation of fine-tuned convolutional neural networks on a clinical dataset of FFDMs

    Science.gov (United States)

    Li, Hui; Mendel, Kayla R.; Lee, John H.; Lan, Li; Giger, Maryellen L.

    2018-02-01

    We evaluated the potential of deep learning in the assessment of breast cancer risk using convolutional neural networks (CNNs) fine-tuned on full-field digital mammographic (FFDM) images. This study included 456 clinical FFDM cases from two high-risk datasets: BRCA1/2 gene-mutation carriers (53 cases) and unilateral cancer patients (75 cases), and a low-risk dataset as the control group (328 cases). All FFDM images (12-bit quantization and 100 micron pixel) were acquired with a GE Senographe 2000D system and were retrospectively collected under an IRB-approved, HIPAA-compliant protocol. Regions of interest of 256x256 pixels were selected from the central breast region behind the nipple in the craniocaudal projection. VGG19 pre-trained on the ImageNet dataset was used to classify the images either as high-risk or as low-risk subjects. The last fully-connected layer of pre-trained VGG19 was fine-tuned on FFDM images for breast cancer risk assessment. Performance was evaluated using the area under the receiver operating characteristic (ROC) curve (AUC) in the task of distinguishing between high-risk and low-risk subjects. AUC values of 0.84 (SE=0.05) and 0.72 (SE=0.06) were obtained in the task of distinguishing between the BRCA1/2 gene-mutation carriers and low-risk women and between unilateral cancer patients and low-risk women, respectively. Deep learning with CNNs appears to be able to extract parenchymal characteristics directly from FFDMs which are relevant to the task of distinguishing between cancer risk populations, and therefore has potential to aid clinicians in assessing mammographic parenchymal patterns for cancer risk assessment.

  4. Formation of semi-IPN membrane composed of crosslinked SPS-[PVdF-co-HFP/Nafion] for application in DMFC: A fine tuning between crosslinker and initiator

    International Nuclear Information System (INIS)

    Kumar, Piyush; Kundu, Patit Paban

    2015-01-01

    The semi-interpenetrating (semi-IPN) membrane composed of crosslinked sulfonated polystyrene (SPS) within the host blend of PVdF-co-HFP (Polyvinylidenefluoride-co-hexafluoropropylene) and Nafion has already been tested as a promising polymer electrolyte membrane (PEM) in terms of improved water uptake, proton conductivity and electrical efficiency for application in the direct methanol fuel cell (DMFC). These desired results have generated further curiosity about a fine tuning between the contents of divinyl benzene (DVB) as a crosslinker and azobisisobutyronitrile (AIBN) as an initiator for the optimization of PEM characteristics. It has been observed that an increase in AIBN content leads to an acceptable degree of water uptake, swelling ratio and proton conductivity in PEM, while higher DVB content causes declined methanol crossover, leading to higher membrane selectivity. These two opposing effects are optimized in terms of proton conductivity, tensile strength and membrane selectivity for the membrane consisting of 0.4 wt% of AIBN and 1.2 wt% of DVB. Moreover, the maximum power density obtained for the membrane having optimum selectivity is 56 mW cm −2 , when analyzed at 90 °C. These results indicate that one can achieve a high power density in comparison to Nafion by fine tuning the contents of initiator and cross-linker during the synthesis of the semi-IPN membrane. - Graphical abstract: Display Omitted - Highlights: • PEM composed of 0.4/1.2 wt% of AIBN/DVB produced best result. • Lower methanol crossover (1.02 × 10 −6 cm 2 s −1 ) compare to Nafion-117. • Higher membrane selectivity i.e 3.05 × 10 4 Ss cm −3 was obtained. • A maximum power density of 56 mW cm −2 was obtained at 90 °C

  5. Mechanism of Fine-tuning pH Sensors in Proprotein Convertases: IDENTIFICATION OF A pH-SENSING HISTIDINE PAIR IN THE PROPEPTIDE OF PROPROTEIN CONVERTASE 1/3.

    Science.gov (United States)

    Williamson, Danielle M; Elferich, Johannes; Shinde, Ujwal

    2015-09-18

    The propeptides of proprotein convertases (PCs) regulate activation of cognate protease domains by sensing pH of their organellar compartments as they transit the secretory pathway. Earlier experimental work identified a conserved histidine-encoded pH sensor within the propeptide of the canonical PC, furin. To date, whether protonation of this conserved histidine is solely responsible for PC activation has remained unclear because of the observation that various PC paralogues are activated at different organellar pH values. To ascertain additional determinants of PC activation, we analyzed PC1/3, a paralogue of furin that is activated at a pH of ∼5.4. Using biophysical, biochemical, and cell-based methods, we mimicked the protonation status of various histidines within the propeptide of PC1/3 and examined how such alterations can modulate pH-dependent protease activation. Our results indicate that whereas the conserved histidine plays a crucial role in pH sensing and activation of this protease an additional histidine acts as a "gatekeeper" that fine-tunes the sensitivity of the PC1/3 propeptide to facilitate the release inhibition at higher proton concentrations when compared with furin. Coupled with earlier analyses that highlighted the enrichment of the amino acid histidine within propeptides of secreted eukaryotic proteases, our work elucidates how secreted proteases have evolved to exploit the pH of the secretory pathway by altering the spatial juxtaposition of titratable groups to regulate their activity in a spatiotemporal fashion. © 2015 by The American Society for Biochemistry and Molecular Biology, Inc.

  6. Fine-tuning blend morphology via alkylthio side chain engineering towards high performance non-fullerene polymer solar cells

    Science.gov (United States)

    Li, Ling; Feng, Liuliu; Yuan, Jun; Peng, Hongjian; Zou, Yingping; Li, Yongfang

    2018-03-01

    Two medium bandgap polymers (ffQx-TS1, ffQx-TS2) were designed and synthesized to investigate the influence of different alkylthio side chain on the morphology and photovoltaic performance of non-fullerene polymer solar cells (PSCs). Both polymers exhibit similar molecular weights and comparable the highest occupied molecular orbital (HOMO) energy level. However, the polymer with straight alkylthio chain delivers a root-mean-square (RMS) of 0.86 nm, which is slightly lower than that with branched chain (1.40 nm). The lower RMS benefits the ohmic contact between the active lay and interface layer, thus enhanced short circuit current (Jsc) (from 13.54 mA cm-1 to 15.25 mA cm-1) could be obtained. Due to the enhancement of Jsc, better power conversion efficiency (PCE) of 7.69% for ffQx-TS2 could be realized. These results indicated that alkylthio side chain engineering is a promising method to improve photovoltaic performance.

  7. Making oxidation potentials predictable: Coordination of additives applied to the electronic fine tuning of an iron(II) complex

    KAUST Repository

    Haslinger, Stefan

    2014-11-03

    This work examines the impact of axially coordinating additives on the electronic structure of a bioinspired octahedral low-spin iron(II) N-heterocyclic carbene (Fe-NHC) complex. Bearing two labile trans-acetonitrile ligands, the Fe-NHC complex, which is also an excellent oxidation catalyst, is prone to axial ligand exchange. Phosphine- and pyridine-based additives are used for substitution of the acetonitrile ligands. On the basis of the resulting defined complexes, predictability of the oxidation potentials is demonstrated, based on a correlation between cyclic voltammetry experiments and density functional theory calculated molecular orbital energies. Fundamental insights into changes of the electronic properties upon axial ligand exchange and the impact on related attributes will finally lead to target-oriented manipulation of the electronic properties and consequently to the effective tuning of the reactivity of bioinspired systems.

  8. Making oxidation potentials predictable: Coordination of additives applied to the electronic fine tuning of an iron(II) complex

    KAUST Repository

    Haslinger, Stefan; Kü ck, Jens W.; Hahn, Eva M.; Cokoja, Mirza; Pö thig, Alexander; Basset, Jean-Marie; Kü hn, Fritz

    2014-01-01

    This work examines the impact of axially coordinating additives on the electronic structure of a bioinspired octahedral low-spin iron(II) N-heterocyclic carbene (Fe-NHC) complex. Bearing two labile trans-acetonitrile ligands, the Fe-NHC complex, which is also an excellent oxidation catalyst, is prone to axial ligand exchange. Phosphine- and pyridine-based additives are used for substitution of the acetonitrile ligands. On the basis of the resulting defined complexes, predictability of the oxidation potentials is demonstrated, based on a correlation between cyclic voltammetry experiments and density functional theory calculated molecular orbital energies. Fundamental insights into changes of the electronic properties upon axial ligand exchange and the impact on related attributes will finally lead to target-oriented manipulation of the electronic properties and consequently to the effective tuning of the reactivity of bioinspired systems.

  9. CX3CL1, a chemokine finely tuned to adhesion: critical roles of the stalk glycosylation and the membrane domain

    Directory of Open Access Journals (Sweden)

    Mariano A. Ostuni

    2014-11-01

    Full Text Available The multi-domain CX3CL1 transmembrane chemokine triggers leukocyte adherence without rolling and migration by presenting its chemokine domain (CD to its receptor CX3CR1. Through the combination of functional adhesion assays with structural analysis using FRAP, we investigated the functional role of the other domains of CX3CL1, i.e., its mucin stalk, transmembrane domain, and cytosolic domain. Our results indicate that the CX3CL1 molecular structure is finely adapted to capture CX3CR1 in circulating cells and that each domain has a specific purpose: the mucin stalk is stiffened by its high glycosylation to present the CD away from the membrane, the transmembrane domain generates the permanent aggregation of an adequate amount of monomers to guarantee adhesion and prevent rolling, and the cytosolic domain ensures adhesive robustness by interacting with the cytoskeleton. We propose a model in which quasi-immobile CX3CL1 bundles are organized to quickly generate adhesive patches with sufficiently high strength to capture CX3CR1+ leukocytes but with sufficiently low strength to allow their patrolling behavior.

  10. Calreticulin is a fine tuning molecule in epibrassinolide-induced apoptosis through activating endoplasmic reticulum stress in colon cancer cells.

    Science.gov (United States)

    Obakan-Yerlikaya, Pinar; Arisan, Elif Damla; Coker-Gurkan, Ajda; Adacan, Kaan; Ozbey, Utku; Somuncu, Berna; Baran, Didem; Palavan-Unsal, Narcin

    2017-06-01

    Epibrassinolide (EBR), a member of brassinostreoids plant hormones with cell proliferation promoting role in plants, is a natural polyhydroxysteroid with structural similarity to steroid hormones of vertebrates. EBR has antiproliferative and apoptosis-inducing effect in various cancer cells. Although EBR has been shown to affect survival and mitochondria-mediated apoptosis pathways in a p53-independent manner, the exact molecular targets of EBR are still under investigation. Our recent SILAC (Stable Isotope Labeling by Amino Acids in Cell Culture) data showed that the most significantly altered protein after EBR treatment was calreticulin (CALR). CALR, a chaperone localized in endoplasmic reticulum (ER) lumen, plays role in protein folding and buffering Ca 2+ ions. The alteration of CALR may cause ER stress and unfolded protein response correspondingly the induction of apoptosis. Unfolded proteins are conducted to 26S proteasomal degradation following ubiquitination. Our study revealed that EBR treatment caused ER stress and UPR by altering CALR expression causing caspase-dependent apoptosis in HCT 116, HT29, DLD-1, and SW480 colon cancer cells. Furthermore, 48 h EBR treatment did not caused UPR in Fetal Human Colon cells (FHC) and Mouse Embryonic Fibroblast cells (MEF). In addition our findings showed that HCT 116 colon cancer cells lacking Bax and Puma expression still undergo UPR and related apoptosis. CALR silencing and rapamycin co-treatment prevented EBR-induced UPR and apoptosis, whereas 26S proteasome inhibition further increased the effect of EBR in colon cancer cells. All these findings showed that EBR is an ER stress and apoptotic inducer in colon cancer cells without affecting non-malignant cells. © 2017 Wiley Periodicals, Inc.

  11. An Accurate CT Saturation Classification Using a Deep Learning Approach Based on Unsupervised Feature Extraction and Supervised Fine-Tuning Strategy

    Directory of Open Access Journals (Sweden)

    Muhammad Ali

    2017-11-01

    Full Text Available Current transformer (CT saturation is one of the significant problems for protection engineers. If CT saturation is not tackled properly, it can cause a disastrous effect on the stability of the power system, and may even create a complete blackout. To cope with CT saturation properly, an accurate detection or classification should be preceded. Recently, deep learning (DL methods have brought a subversive revolution in the field of artificial intelligence (AI. This paper presents a new DL classification method based on unsupervised feature extraction and supervised fine-tuning strategy to classify the saturated and unsaturated regions in case of CT saturation. In other words, if protection system is subjected to a CT saturation, proposed method will correctly classify the different levels of saturation with a high accuracy. Traditional AI methods are mostly based on supervised learning and rely heavily on human crafted features. This paper contributes to an unsupervised feature extraction, using autoencoders and deep neural networks (DNNs to extract features automatically without prior knowledge of optimal features. To validate the effectiveness of proposed method, a variety of simulation tests are conducted, and classification results are analyzed using standard classification metrics. Simulation results confirm that proposed method classifies the different levels of CT saturation with a remarkable accuracy and has unique feature extraction capabilities. Lastly, we provided a potential future research direction to conclude this paper.

  12. Plasma Membrane CRPK1-Mediated Phosphorylation of 14-3-3 Proteins Induces Their Nuclear Import to Fine-Tune CBF Signaling during Cold Response.

    Science.gov (United States)

    Liu, Ziyan; Jia, Yuxin; Ding, Yanglin; Shi, Yiting; Li, Zhen; Guo, Yan; Gong, Zhizhong; Yang, Shuhua

    2017-04-06

    In plant cells, changes in fluidity of the plasma membrane may serve as the primary sensor of cold stress; however, the precise mechanism and how the cell transduces and fine-tunes cold signals remain elusive. Here we show that the cold-activated plasma membrane protein cold-responsive protein kinase 1 (CRPK1) phosphorylates 14-3-3 proteins. The phosphorylated 14-3-3 proteins shuttle from the cytosol to the nucleus, where they interact with and destabilize the key cold-responsive C-repeat-binding factor (CBF) proteins. Consistent with this, the crpk1 and 14-3-3κλ mutants show enhanced freezing tolerance, and transgenic plants overexpressing 14-3-3λ show reduced freezing tolerance. Further study shows that CRPK1 is essential for the nuclear translocation of 14-3-3 proteins and for 14-3-3 function in freezing tolerance. Thus, our study reveals that the CRPK1-14-3-3 module transduces the cold signal from the plasma membrane to the nucleus to modulate CBF stability, which ensures a faithfully adjusted response to cold stress of plants. Copyright © 2017 Elsevier Inc. All rights reserved.

  13. Full phosphorescent white-light organic light-emitting diodes with improved color stability and efficiency by fine tuning primary emission contributions

    Directory of Open Access Journals (Sweden)

    Wang Hua

    2014-02-01

    Full Text Available In this paper, a novel type of white-light organic light emitting diode (OLED with high color stability was reported, in which the yellow-light emission layer of (4,4′-N,N′-dicarbazolebiphenyl (CBP : tris(2-phenylquinoline-C2,N′iridium(III (Ir(2-phq3 was sandwiched by double blue-light emission layers of 1,1-bis-[(di-4-tolylaminopheny1]cyclohexane (TAPC : bis[4,6-(di-fluorophenyl-pyridinato-N,C2′]picolinate (FIrpic and tris[3-(3-pyridylmesityl]borane (3TPYMB:FIrpic. And, it exhibited the maximum current efficiency of 33.1 cd/A, the turn-on voltage at about 3 V and the maximum luminance in excess of 20000 cd/m2. More important, it realized very stable white-light emission, and its CIE(x, y coordinates only shift from (0.34, 0.37 to (0.33, 0.37 as applied voltage increased from 5 V to 12 V. It is believed that the new scheme in emission layer of white-light OLED can fine tune the contribution of primary emission with applied voltage changed, resulting in high quality white-light OLED.

  14. Pore radius fine tuning of a silica matrix (MCM-41) based on the synthesis of alumina nanolayers with different thicknesses by atomic layer deposition

    International Nuclear Information System (INIS)

    Zemtsova, Elena G.; Arbenin, Andrei Yu.; Plotnikov, Alexander F.; Smirnov, Vladimir M.

    2015-01-01

    The authors investigated a new approach to modify the surface of the mesoporous silica matrix MCM-41. This approach is based on manipulating the chemical composition of the porous surface layer and also on fine tuning the pore radius by applying the atomic layer deposition (ALD) technique. The synthesis of alumina nanolayers was performed on the planar and the porous matrix (MCM-41) by the ALD technique using aluminum tri-sec-butoxide and water as precursors. The authors show that one cycle on silicon, using aluminum tri-sec-butoxide and water as precursors, results in a 1–1.2 Å increase in alumina nanolayer thickness. This is comparable to the increase in thickness per cycle for other precursors such as trimethylaluminum and aluminum chloride. The authors show that the synthesis of an Al 2 O 3 nanolayer on the pore surface of the mesoporous silica matrix MCM-41 by the ALD technique results in a regular change in the porous structure of the samples. The specific porosity (ml/g) of the MCM-41 was 0.95 and that of MCM-41 after 5 ALD cycles was 0.39. The pore diameter (nm) of MCM-41 was 3.3 and that of MCM-41 after 5 ALD cycles was 2.3

  15. Listeria monocytogenes CadC Regulates Cadmium Efflux and Fine-tunes Lipoprotein Localization to Escape the Host Immune Response and Promote Infection.

    Science.gov (United States)

    Pombinho, Rita; Camejo, Ana; Vieira, Ana; Reis, Olga; Carvalho, Filipe; Almeida, Maria Teresa; Pinheiro, Jorge Campos; Sousa, Sandra; Cabanes, Didier

    2017-05-01

    Listeria monocytogenes is a major intracellular human foodborne bacterial pathogen. We previously revealed L. monocytogenes cadC as highly expressed during mouse infection. Here we show that L. monocytogenes CadC is a sequence-specific, DNA-binding and cadmium-dependent regulator of CadA, an efflux pump conferring cadmium resistance. CadC but not CadA is required for L. monocytogenes infection in vivo. Interestingly, CadC also directly represses lspB, a gene encoding a lipoprotein signal peptidase whose expression appears detrimental for infection. lspB overexpression promotes the release of the LpeA lipoprotein to the extracellular medium, inducing tumor necrosis factor α and interleukin 6 expression, thus impairing L. monocytogenes survival in macrophages. We propose that L. monocytogenes uses CadC to repress lspB expression during infection to avoid LpeA exposure to the host immune system, diminishing inflammatory cytokine expression and promoting intramacrophagic survival and virulence. CadC appears as the first metal efflux pump regulator repurposed during infection to fine-tune lipoprotein processing and host responses. © The Author 2017. Published by Oxford University Press for the Infectious Diseases Society of America. All rights reserved. For permissions, e-mail: journals.permissions@oup.com.

  16. Full phosphorescent white-light organic light-emitting diodes with improved color stability and efficiency by fine tuning primary emission contributions

    Energy Technology Data Exchange (ETDEWEB)

    Hua, Wang, E-mail: wmsu2008@sinano.ac.cn, E-mail: wanghua001@tyut.edu.cn; Du, Xiaogang [Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Ministry of Education, Taiyuan 030024 (China); Research Center of Advanced Materials Science and Technology, Taiyuan University of Technology, Taiyuan 030024 (China); Su, Wenming, E-mail: wmsu2008@sinano.ac.cn, E-mail: wanghua001@tyut.edu.cn; Zhang, Dongyu [Printable Electronics Research Centre, Suzhou Institute of Nano-Tech and Nano-Bionics, CAS, suzhou 215123 (China); Lin, Wenjing [Key Laboratory of Interface Science and Engineering in Advanced Materials, Taiyuan University of Technology, Ministry of Education, Taiyuan 030024 (China); Research Center of Advanced Materials Science and Technology, Taiyuan University of Technology, Taiyuan 030024 (China); Printable Electronics Research Centre, Suzhou Institute of Nano-Tech and Nano-Bionics, CAS, suzhou 215123 (China)

    2014-02-15

    In this paper, a novel type of white-light organic light emitting diode (OLED) with high color stability was reported, in which the yellow-light emission layer of (4,4{sup ′}-N,N{sup ′}-dicarbazole)biphenyl (CBP) : tris(2-phenylquinoline-C2,N{sup ′})iridium(III) (Ir(2-phq){sub 3}) was sandwiched by double blue-light emission layers of 1,1-bis-[(di-4-tolylamino)pheny1]cyclohexane (TAPC) : bis[4,6-(di-fluorophenyl)-pyridinato-N,C2{sup ′}]picolinate (FIrpic) and tris[3-(3-pyridyl)mesityl]borane (3TPYMB):FIrpic. And, it exhibited the maximum current efficiency of 33.1 cd/A, the turn-on voltage at about 3 V and the maximum luminance in excess of 20000 cd/m{sup 2}. More important, it realized very stable white-light emission, and its CIE(x, y) coordinates only shift from (0.34, 0.37) to (0.33, 0.37) as applied voltage increased from 5 V to 12 V. It is believed that the new scheme in emission layer of white-light OLED can fine tune the contribution of primary emission with applied voltage changed, resulting in high quality white-light OLED.

  17. Full phosphorescent white-light organic light-emitting diodes with improved color stability and efficiency by fine tuning primary emission contributions

    Science.gov (United States)

    Hua, Wang; Du, Xiaogang; Su, Wenming; Lin, Wenjing; Zhang, Dongyu

    2014-02-01

    In this paper, a novel type of white-light organic light emitting diode (OLED) with high color stability was reported, in which the yellow-light emission layer of (4,4'-N,N'-dicarbazole)biphenyl (CBP) : tris(2-phenylquinoline-C2,N')iridium(III) (Ir(2-phq)3) was sandwiched by double blue-light emission layers of 1,1-bis-[(di-4-tolylamino)pheny1]cyclohexane (TAPC) : bis[4,6-(di-fluorophenyl)-pyridinato-N,C2']picolinate (FIrpic) and tris[3-(3-pyridyl)mesityl]borane (3TPYMB):FIrpic. And, it exhibited the maximum current efficiency of 33.1 cd/A, the turn-on voltage at about 3 V and the maximum luminance in excess of 20000 cd/m2. More important, it realized very stable white-light emission, and its CIE(x, y) coordinates only shift from (0.34, 0.37) to (0.33, 0.37) as applied voltage increased from 5 V to 12 V. It is believed that the new scheme in emission layer of white-light OLED can fine tune the contribution of primary emission with applied voltage changed, resulting in high quality white-light OLED.

  18. Development of high-polarization Fe/Ge neutron polarizing supermirror: Possibility of fine-tuning of scattering length density in ion beam sputtering

    Science.gov (United States)

    Maruyama, R.; Yamazaki, D.; Akutsu, K.; Hanashima, T.; Miyata, N.; Aoki, H.; Takeda, M.; Soyama, K.

    2018-04-01

    The multilayer structure of Fe/Si and Fe/Ge systems fabricated by ion beam sputtering (IBS) was investigated using X-ray and polarized neutron reflectivity measurements and scanning transmission electron microscopy with energy-dispersive X-ray analysis. The obtained result revealed that the incorporation of sputtering gas particles (Ar) in the Ge layer gives rise to a marked reduction in the neutron scattering length density (SLD) and contributes to the SLD contrast between the Fe and Ge layers almost vanishing for spin-down neutrons. Bundesmann et al. (2015) have shown that the implantation of primary Ar ions backscattered at the target is responsible for the incorporation of Ar particles and that the fraction increases with increasing ion incidence angle and increasing polar emission angle. This leads to a possibility of fine-tuning of the SLD for the IBS, which is required to realize a high polarization efficiency of a neutron polarizing supermirror. Fe/Ge polarizing supermirror with m = 5 fabricated under the same condition showed a spin-up reflectivity of 0.70 at the critical momentum transfer. The polarization was higher than 0.985 for the qz range where the correction for the polarization inefficiencies of the beamline works properly. The result of the polarized neutron reflectivity measurement suggests that the "magnetically-dead" layers formed at both sides of the Fe layer, together with the SLD contrast, play a critical role in determining the polarization performance of a polarizing supermirror.

  19. Baby universes, fine tuning problems

    International Nuclear Information System (INIS)

    Nielsen, H.B.; Ninomiya, Masao.

    1988-12-01

    We review the recently popular 'theory of baby universes' put forward by Banks, Coleman and Hawking. We then derive the strong CP breaking coefficient θ-bar to be very small, in a similar manner to the derivation of the cosmological constant being zero. A solution for an old controversy concerning the entropy creation in black holes is also discussed. We finally confront the baby universe theory with random dynamics. We conclude that the theory of baby universes is so successful that the essential features are likely true and might have to go into a right theory even if with some troubles at first. (author)

  20. Fine Tuning of CaV1.3 Ca2+ channel properties in adult inner hair cells positioned in the most sensitive region of the Gerbil Cochlea.

    Directory of Open Access Journals (Sweden)

    Valeria Zampini

    Full Text Available Hearing relies on faithful signal transmission by cochlear inner hair cells (IHCs onto auditory fibres over a wide frequency and intensity range. Exocytosis at IHC ribbon synapses is triggered by Ca(2+ inflow through Ca(V1.3 (L-type Ca(2+ channels. We investigated the macroscopic (whole-cell and elementary (cell-attached properties of Ca(2+ currents in IHCs positioned at the middle turn (frequency ∼ 2 kHz of the adult gerbil cochlea, which is their most sensitive hearing region. Using near physiological recordings conditions (body temperature and a Na(+ based extracellular solution, we found that the macroscopic Ca(2+ current activates and deactivates very rapidly (time constant below 1 ms and inactivates slowly and only partially. Single-channel recordings showed an elementary conductance of 15 pS, a sub-ms latency to first opening, and a very low steady-state open probability (Po: 0.024 in response to 500-ms depolarizing steps at ∼-18 mV. The value of Po was significantly larger (0.06 in the first 40 ms of membrane depolarization, which corresponds to the time when most Ca(2+ channel openings occurred clustered in bursts (mean burst duration: 19 ms. Both the Po and the mean burst duration were smaller than those previously reported in high-frequency basal IHCs. Finally, we found that middle turn IHCs are likely to express about 4 times more Ca(2+ channels per ribbon than basal cells. We propose that middle-turn IHCs finely-tune Ca(V1.3 Ca(2+ channel gating in order to provide reliable information upon timing and intensity of lower-frequency sounds.

  1. Fine Tuning of CaV1.3 Ca2+ channel properties in adult inner hair cells positioned in the most sensitive region of the Gerbil Cochlea.

    Science.gov (United States)

    Zampini, Valeria; Johnson, Stuart L; Franz, Christoph; Knipper, Marlies; Holley, Matthew C; Magistretti, Jacopo; Russo, Giancarlo; Marcotti, Walter; Masetto, Sergio

    2014-01-01

    Hearing relies on faithful signal transmission by cochlear inner hair cells (IHCs) onto auditory fibres over a wide frequency and intensity range. Exocytosis at IHC ribbon synapses is triggered by Ca(2+) inflow through Ca(V)1.3 (L-type) Ca(2+) channels. We investigated the macroscopic (whole-cell) and elementary (cell-attached) properties of Ca(2+) currents in IHCs positioned at the middle turn (frequency ∼ 2 kHz) of the adult gerbil cochlea, which is their most sensitive hearing region. Using near physiological recordings conditions (body temperature and a Na(+) based extracellular solution), we found that the macroscopic Ca(2+) current activates and deactivates very rapidly (time constant below 1 ms) and inactivates slowly and only partially. Single-channel recordings showed an elementary conductance of 15 pS, a sub-ms latency to first opening, and a very low steady-state open probability (Po: 0.024 in response to 500-ms depolarizing steps at ∼-18 mV). The value of Po was significantly larger (0.06) in the first 40 ms of membrane depolarization, which corresponds to the time when most Ca(2+) channel openings occurred clustered in bursts (mean burst duration: 19 ms). Both the Po and the mean burst duration were smaller than those previously reported in high-frequency basal IHCs. Finally, we found that middle turn IHCs are likely to express about 4 times more Ca(2+) channels per ribbon than basal cells. We propose that middle-turn IHCs finely-tune Ca(V)1.3 Ca(2+) channel gating in order to provide reliable information upon timing and intensity of lower-frequency sounds.

  2. Capability for Fine Tuning of the Refractive Index Sensing Properties of Long-Period Gratings by Atomic Layer Deposited Al2O3 Overlays

    Directory of Open Access Journals (Sweden)

    Mateusz Śmietana

    2013-11-01

    Full Text Available This work presents an application of thin aluminum oxide (Al2O3 films obtained using atomic layer deposition (ALD for fine tuning the spectral response and refractive-index (RI sensitivity of long-period gratings (LPGs induced in optical fibers. The technique allows for an efficient and well controlled deposition at monolayer level (resolution ~ 0.12 nm of excellent quality nano-films as required for optical sensors. The effect of Al2O3 deposition on the spectral properties of the LPGs is demonstrated experimentally and numerically. We correlated both the increase in Al2O3 thickness and changes in optical properties of the film with the shift of the LPG resonance wavelength and proved that similar films are deposited on fibers and oxidized silicon reference samples in the same process run. Since the thin overlay effectively changes the distribution of the cladding modes and thus also tunes the device’s RI sensitivity, the tuning can be simply realized by varying number of cycles, which is proportional to thickness of the high-refractive-index (n > 1.6 in infrared spectral range Al2O3 film. The advantage of this approach is the precision in determining the film properties resulting in RI sensitivity of the LPGs. To the best of our knowledge, this is the first time that an ultra-precise method for overlay deposition has been applied on LPGs for RI tuning purposes and the results have been compared with numerical simulations based on LP mode approximation.

  3. Necroptosis: Molecular Signalling and Translational Implications

    Directory of Open Access Journals (Sweden)

    Claudia Giampietri

    2014-01-01

    Full Text Available Necroptosis is a form of programmed necrosis whose molecular players are partially shared with apoptotic cell death. Here we summarize what is known about molecular signalling of necroptosis, particularly focusing on fine tuning of FLIP and IAP proteins in the apoptosis/necroptosis balance. We also emphasize necroptosis involvement in physiological and pathological conditions, particularly in the regulation of immune homeostasis.

  4. Gene expression analyses in tomato near isogenic lines provide evidence for ethylene and abscisic acid biosynthesis fine-tuning during arbuscular mycorrhiza development.

    Science.gov (United States)

    Fracetto, Giselle Gomes Monteiro; Peres, Lázaro Eustáquio Pereira; Lambais, Marcio Rodrigues

    2017-07-01

    colonization in tomato roots, indicating that, besides hormonal interactions, a fine-tuning of each hormone level is required for AM development.

  5. A multi-step method with signal quality assessment and fine-tuning procedure to locate maternal and fetal QRS complexes from abdominal ECG recordings

    International Nuclear Information System (INIS)

    Liu, Chengyu; Li, Peng; Zhao, Lina; Di Maria, Costanzo; Zhang, Henggui; Chen, Zhiqing

    2014-01-01

    Non-invasive monitoring of fetal electrocardiogram (fECG) plays an important role in detecting and diagnosing fetal diseases. This study aimed to develop a multi-step method for locating both maternal and fetal QRS complexes from abdominal ECG (aECG) recordings. The proposed method included four major steps: abdominal ECG pre-processing, maternal QRS complex locating, maternal ECG cancellation and fetal QRS complex locating. Signal quality assessment (SQA) and fine-tuning for maternal ECG (FTM) were implemented in the first and third steps, respectively. The method was then evaluated using 75 non-invasive 4-channel aECG recordings provided by the PhysioNet/Computing in Cardiology Challenge 2013. The F 1 measure, which is a new index introduced by Behar et al (2013 Proc. Comput. Cardiol. 40 297–300), was used to assess the locating accuracy. The other two indices, mean squared error of heart rate (MSE H R) between the fetal HR signals estimated from the reference and our method (MSE H R in bpm 2 ) and root mean squared difference between the corresponding fetal RR intervals (MSE R R in ms) were also used to assess the locating accuracy. Overall, for the maternal QRS complex, the F 1 measure was 98.4% from the method without the implementation of SQA, and it was improved to 99.8% with SQA. For the fetal QRS complex, the F 1 measure, MSE H R and MSE R R were 84.9%, 185.6 bpm 2 and 19.4 ms for the method without both SQA and FTM procedures. They were improved to 93.9%, 47.5 bpm 2 and 7.6 ms with both SQA and FTM procedures. These improvements were observed from each individual subject. It can be concluded that implementing both SQA and FTM procedures could achieve better performance for locating both maternal and fetal QRS complexes. (paper)

  6. Functional Characterization of MODY2 Mutations Highlights the Importance of the Fine-Tuning of Glucokinase and Its Role in Glucose Sensing

    Science.gov (United States)

    García-Herrero, Carmen-María; Rubio-Cabezas, Oscar; Azriel, Sharona; Gutierrez-Nogués, Angel; Aragonés, Angel; Vincent, Olivier; Campos-Barros, Angel; Argente, Jesús; Navas, María-Angeles

    2012-01-01

    Glucokinase (GK) acts as a glucose sensor in the pancreatic beta-cell and regulates insulin secretion. Heterozygous mutations in the human GK-encoding GCK gene that reduce the activity index increase the glucose-stimulated insulin secretion threshold and cause familial, mild fasting hyperglycaemia, also known as Maturity Onset Diabetes of the Young type 2 (MODY2). Here we describe the biochemical characterization of five missense GK mutations: p.Ile130Thr, p.Asp205His, p.Gly223Ser, p.His416Arg and p.Ala449Thr. The enzymatic analysis of the corresponding bacterially expressed GST-GK mutant proteins show that all of them impair the kinetic characteristics of the enzyme. In keeping with their position within the protein, mutations p.Ile130Thr, p.Asp205His, p.Gly223Ser, and p.His416Arg strongly decrease the activity index of GK, affecting to one or more kinetic parameters. In contrast, the p.Ala449Thr mutation, which is located in the allosteric activator site, does not affect significantly the activity index of GK, but dramatically modifies the main kinetic parameters responsible for the function of this enzyme as a glucose sensor. The reduced Kcat of the mutant (3.21±0.28 s−1 vs 47.86±2.78 s−1) is balanced by an increased glucose affinity (S0.5 = 1.33±0.08 mM vs 7.86±0.09 mM) and loss of cooperativity for this substrate. We further studied the mechanism by which this mutation impaired GK kinetics by measuring the differential effects of several competitive inhibitors and one allosteric activator on the mutant protein. Our results suggest that this mutation alters the equilibrium between the conformational states of glucokinase and highlights the importance of the fine-tuning of GK and its role in glucose sensing. PMID:22291974

  7. Pendant chain engineering to fine-tune the nanomorphologies and solid state luminescence of naphthalimide AIEEgens: application to phenolic nitro-explosive detection in water.

    Science.gov (United States)

    Meher, Niranjan; Iyer, Parameswar Krishnan

    2017-06-08

    Strategically, a series of five angular "V" shaped naphthalimide AIEEgens with varying pendant chains (butyl, hexyl, octyl, cyclohexyl and methylcyclohexyl) have been synthesized to fine-tune their nanomorphological and photophysical properties. With similar aromatic cores and electronic states, unexpected tuning of the condensed state emission colors and nanomorphologies (reproducible on any kind of surface) of naphthalimides has been achieved for the first time simply by varying their side chains. Conclusive analysis by various spectroscopic techniques (SC-XRD, powder-XRD, DLS, FESEM) and DFT computational studies confirmed the full control of the pendant chain (in terms of bulkiness around the naphthalimide core, which restricts the ease of intermolecular π-π interactions) over the nanoaggregate morphology and solid state emissive properties of the AIEEgens; this can be rationalized to all aggregation-prone systems. These comprehensive studies establish a conceptually unique yet simple and effective method to precisely tune the nanomorphologies and the emission colors of aggregation-prone small organic molecules by judicious choice of the non-conjugated pendant chain. Thus, considering the prime role of the active layer nanomorphology in all organic optoelectronic devices, this methodology may emerge as a promising tool to improve device performance. Among all the congeners, the hexyl chain-containing congener (HNQ) forms well-defined nanoribbons with smaller diameters (as confirmed from DLS: 166 nm and FESEM: 150 nm) and provides a larger surface area. Consequently, the HNQ-nanoribbons were employed as a fluorescent sensor for the discriminative detection of trinitrophenol (TNP) in pure aqueous media. FE-SEM images revealed that, upon gradual addition of TNP (10 nM to 100 μM), these nanoribbons undergo an aggregation/disaggregation process, forming non-fluorescent co-aggregates with TNP, and provide highly enhanced sensitivity compared to existing state

  8. Cellular prion protein is required for neuritogenesis: fine-tuning of multiple signaling pathways involved in focal adhesions and actin cytoskeleton dynamics

    Directory of Open Access Journals (Sweden)

    Alleaume-Butaux A

    2013-07-01

    Full Text Available Aurélie Alleaume-Butaux,1,2 Caroline Dakowski,1,2 Mathéa Pietri,1,2 Sophie Mouillet-Richard,1,2 Jean-Marie Launay,3,4 Odile Kellermann,1,2 Benoit Schneider1,2 1INSERM, UMR-S 747, 2Paris Descartes University, Sorbonne Paris Cité, UMR-S 747, 3Public Hospital of Paris, Department of Biochemistry, INSERM UMR-S 942, Lariboisière Hospital, Paris, France; 4Pharma Research Department, Hoffmann La Roche Ltd, Basel, Switzerland Abstract: Neuritogenesis is a dynamic phenomenon associated with neuronal differentiation that allows a rather spherical neuronal stem cell to develop dendrites and axon, a prerequisite for the integration and transmission of signals. The acquisition of neuronal polarity occurs in three steps: (1 neurite sprouting, which consists of the formation of buds emerging from the postmitotic neuronal soma; (2 neurite outgrowth, which represents the conversion of buds into neurites, their elongation and evolution into axon or dendrites; and (3 the stability and plasticity of neuronal polarity. In neuronal stem cells, remodeling and activation of focal adhesions (FAs associated with deep modifications of the actin cytoskeleton is a prerequisite for neurite sprouting and subsequent neurite outgrowth. A multiple set of growth factors and interactors located in the extracellular matrix and the plasma membrane orchestrate neuritogenesis by acting on intracellular signaling effectors, notably small G proteins such as RhoA, Rac, and Cdc42, which are involved in actin turnover and the dynamics of FAs. The cellular prion protein (PrPC, a glycosylphosphatidylinositol (GPI-anchored membrane protein mainly known for its role in a group of fatal neurodegenerative diseases, has emerged as a central player in neuritogenesis. Here, we review the contribution of PrPC to neuronal polarization and detail the current knowledge on the signaling pathways fine-tuned by PrPC to promote neurite sprouting, outgrowth, and maintenance. We emphasize that Pr

  9. How does a scanning ribosomal particle move along the 5'-untranslated region of eukaryotic mRNA? Brownian Ratchet model.

    Science.gov (United States)

    Spirin, Alexander S

    2009-11-17

    A model of the ATP-dependent unidirectional movement of the 43S ribosomal initiation complex (=40S ribosomal subunit + eIF1 + eIF1A + eIF2.GTP.Met-tRNA(i) + eIF3) during scanning of the 5'-untranslated region of eukaryotic mRNA is proposed. The model is based on the principles of molecular Brownian ratchet machines and explains several enigmatic data concerning the scanning complex. In this model, the one-dimensional diffusion of the ribosomal initiation complex along the mRNA chain is rectified into the net-unidirectional 5'-to-3' movement by the Feynman ratchet-and-pawl mechanism. The proposed mechanism is organized by the heterotrimeric protein eIF4F (=eIF4A + eIF4E + eIF4G), attached to the scanning ribosomal particle via eIF3, and the RNA-binding protein eIF4B that is postulated to play the role of the pawl. The energy for the useful work of the ratchet-and-pawl mechanism is supplied from ATP hydrolysis induced by the eIF4A subunit: ATP binding and its hydrolysis alternately change the affinities of eIF4A for eIF4B and for mRNA, resulting in the restriction of backward diffusional sliding of the 43S ribosomal complex along the mRNA chain, while stochastic movements ahead are allowed.

  10. Fine tuning the HOMO energy levels of polythieno[3,4-b]thiophene derivatives by incorporation of thiophene-3,4-dicarboxylate moiety for photovoltaic applications

    DEFF Research Database (Denmark)

    Hu, Xiao-Lian; Zuo, Li-Jian; Nan, Ya-Xiong

    2012-01-01

    To lower the HOMO (highest occupied molecular orbital) energy level of polythieno[3,4-b]thiophene (∼−4.5eV), a series of ester-functionalized polythieno[3,4-b]thiophene derivatives (P1–P3) were designed and synthesized by Stille cross coupling reaction. The resulting copolymers exhibited broad...... voltage (Voc) of 0.54V, a short circuit current density (Isc) of 3.3mA/cm2, a fill factor (FF) of 0.57, and a power conversion efficiency (PCE) of 1.02%. A high Voc up to 0.71V was achieved in the solar cell based on a P3:PCBM blend....

  11. Fine tuning the emission wavelengths of the 7-hydroxy-1-indanone based nano-structure dyes: Near-infrared (NIR) dual emission generation with large stokes shifts

    Science.gov (United States)

    Roohi, Hossein; Alizadeh, Parvaneh

    2018-05-01

    Near-infrared (NIR) fluorescent dyes have recently gained special attention due to their applications to use as molecular probes for imaging of biological targets and sensitive determination. In this study, photophysical properties of the 7-hydroxy-1-indanone based fluorophors A1, A2, A3, B1, B2 and 3R-B2 (R = CF3, NH2, NO2 and OMe) in the gas and three solution phases were probed using TD-DFT method at PBE0/6-311++G(d,p) and M06-2X/6-311++G(d,p) levels of theory. In addition to structural and photophysical properties as well as ESIPT mechanism of all mentioned molecules, the FC and relaxed potential energy surfaces of B2 and 3R-B2 (R = CF3 and NH2) molecules were explored in gas phase and acetonitrile, cyclohexane and water solvents. It is predicted that the A1, A3 and 3R-B2 chromophores afford normal (615-670 nm) and NIR fluorescence emissions (770-940 nm; biological window) with the large Stokes shifts of >160 and >300 nm, respectively. A good aggrement was found between theoretical and experimental results. In sum, these new types of dyes may render the new approaches for the development of the most efficient NIR fluorescent probes for enhanced image contrast and optimal apparent brightness in biological applications.

  12. A Fine-Tuned MOF for Gas and Vapor Separation: A Multipurpose Adsorbent for Acid Gas Removal, Dehydration, and BTX Sieving

    KAUST Repository

    Haja Mohideen, Mohamed Infas; Pillai, Renjith S.; Adil, Karim; Bhatt, Prashant; Belmabkhout, Youssef; Shkurenko, Aleksander; Maurin, Guillaume; Eddaoudi, Mohamed

    2017-01-01

    Summary The development of highly stable separation agents is recognized as a decisive step toward the successful deployment of energy-efficient and cost-effective separation processes. Here, we report the synthesis and construction of a metal-organic framework (MOF), kag-MOF-1, that has adequate structural and chemical features and affords a stable adsorbent with unique and appropriate adsorption properties for gas processing akin to acid gas removal, dehydration, and benzene-toluene-xylene (BTX) sieving. A combination of X-ray diffraction experiments, adsorption studies, mixed-gas breakthrough adsorption column testing, calorimetric measurements, and molecular simulations corroborated the exceptional separation performance of kag-MOF-1 and its prospective use as a multifunctional adsorbent. The unique adsorption properties of kag-MOF-1, resulting from the contracted pore system with aligned periodic array of exposed functionalities, attest to the prominence of this new generation of ultra-microporous material as a prospective practical adsorbent toward cost-effective and more simplified gas and vapor processing flowcharts for natural gas upgrading and flue gas scrubbing.

  13. Fine Tuning of Open-Circuit Voltage by Chlorination in Thieno[3,4- b ]thiophene–Benzodithiophene Terpolymers toward Enhanced Solar Energy Conversion

    Energy Technology Data Exchange (ETDEWEB)

    Qu, Shiwei; Wang, Huan; Mo, Daize; Chao, Pengjie; Yang, Zhen; Li, Longji; Tian, Leilei; Chen, Wei [Materials; Institute; He, Feng

    2017-06-22

    A new family of thieno[3,4-b]thiophene benzodithiophene terpolymers (PBTClx) have been designed and synthesized, in which the chlorine/fluorine content has been adjusted and optimized. As the content of chlorine is increased in polymers, the twist angle between the donor and acceptor is increased, which leads to a diminishment in the planarity and conjugation. As a result, the UV vis absorption is continuous blue-shifted, and the band gap increases from 1.57 to 2.04 eV when the chlorinated moieties increased from 0 to 100%. The highest occupied molecular orbital (HOMO) levels of those polymers are decreased by increasing the content of chlorinated moiety, which opens a window to constantly modify the V-oc values and eventually meets a balance point for optimized solar energy conversion. The highest power conversion efficiency of 8.31% is obtained by using PBTCl25 as the donor and PC71BM as the acceptor in polymer solar cells (PSCs), in which the Voc increased from 0.79 to 0.82 V after 25% chlorinated monomer involved in copolymerization. Herein, the chlorine replacement could be a good method to further pump the solar conversion by increasing the open circuit voltage without reducing other factors of the polymer solar cells.

  14. A Fine-Tuned MOF for Gas and Vapor Separation: A Multipurpose Adsorbent for Acid Gas Removal, Dehydration, and BTX Sieving

    KAUST Repository

    Haja Mohideen, Mohamed Infas

    2017-10-19

    Summary The development of highly stable separation agents is recognized as a decisive step toward the successful deployment of energy-efficient and cost-effective separation processes. Here, we report the synthesis and construction of a metal-organic framework (MOF), kag-MOF-1, that has adequate structural and chemical features and affords a stable adsorbent with unique and appropriate adsorption properties for gas processing akin to acid gas removal, dehydration, and benzene-toluene-xylene (BTX) sieving. A combination of X-ray diffraction experiments, adsorption studies, mixed-gas breakthrough adsorption column testing, calorimetric measurements, and molecular simulations corroborated the exceptional separation performance of kag-MOF-1 and its prospective use as a multifunctional adsorbent. The unique adsorption properties of kag-MOF-1, resulting from the contracted pore system with aligned periodic array of exposed functionalities, attest to the prominence of this new generation of ultra-microporous material as a prospective practical adsorbent toward cost-effective and more simplified gas and vapor processing flowcharts for natural gas upgrading and flue gas scrubbing.

  15. Evolutionarily Conserved, Growth Plate Zone-Specific Regulation of the Matrilin-1 Promoter: L-Sox5/Sox6 and Nfi Factors Bound near TATA Finely Tune Activation by Sox9 ▿

    Science.gov (United States)

    Nagy, Andrea; Kénesi, Erzsébet; Rentsendorj, Otgonchimeg; Molnár, Annamária; Szénási, Tibor; Sinkó, Ildikó; Zvara, Ágnes; Thottathil Oommen, Sajit; Barta, Endre; Puskás, László G.; Lefebvre, Veronique; Kiss, Ibolya

    2011-01-01

    To help uncover the mechanisms underlying the staggered expression of cartilage-specific genes in the growth plate, we dissected the transcriptional mechanisms driving expression of the matrilin-1 gene (Matn1). We show that a unique assembly of evolutionarily conserved cis-acting elements in the Matn1 proximal promoter restricts expression to the proliferative and prehypertrophic zones of the growth plate. These elements functionally interact with distal elements and likewise are capable of restricting the domain of activity of a pancartilaginous Col2a1 enhancer. The proximal elements include a Pe1 element binding the chondrogenic L-Sox5, Sox6, and Sox9 proteins, a SI element binding Nfi proteins, and an initiator Ine element binding the Sox trio and other factors. Sox9 binding to Pe1 is indispensable for functional interaction with the distal promoter. Binding of L-Sox5/Sox6 to Ine and Nfib to SI modulates Sox9 transactivation in a protein dose-dependent manner, possibly to enhance Sox9 activity in early stages of chondrogenesis and repress it at later stages. Hence, our data suggest a novel model whereby Sox and Nfi proteins bind to conserved Matn1 proximal elements and functionally interact with each other to finely tune gene expression in specific zones of the cartilage growth plate. PMID:21173167

  16. Fine-Tuning ADAS Algorithm Parameters

    Data.gov (United States)

    U.S. Environmental Protection Agency — With the development of the Connected Vehicle technology that facilitates wirelessly communication among vehicles and road-side infrastructure, the Advanced Driver...

  17. Dark interactions and cosmological fine-tuning

    Energy Technology Data Exchange (ETDEWEB)

    Quartin, Miguel; Calvao, Mauricio O; Joras, Sergio E; Reis, Ribamar R R; Waga, Ioav, E-mail: mquartin@if.ufrj.br, E-mail: orca@if.ufrj.br, E-mail: joras@if.ufrj.br, E-mail: ribamar@if.ufrj.br, E-mail: ioav@if.ufrj.br [Instituto de Fisica, Universidade Federal do Rio de Janeiro, CEP 21941-972, Rio de Janeiro, RJ (Brazil)

    2008-05-15

    Cosmological models involving an interaction between dark matter and dark energy have been proposed in order to solve the so-called coincidence problem. Different forms of coupling have been studied, but there have been claims that observational data seem to narrow (some of) them down to something annoyingly close to the {Lambda}CDM (CDM: cold dark matter) model, thus greatly reducing their ability to deal with the problem in the first place. The smallness problem of the initial energy density of dark energy has also been a target of cosmological models in recent years. Making use of a moderately general coupling scheme, this paper aims to unite these different approaches and shed some light on whether this class of models has any true perspective in suppressing the aforementioned issues that plague our current understanding of the universe, in a quantitative and unambiguous way.

  18. Optimised dipper fine tunes shovel performance

    Energy Technology Data Exchange (ETDEWEB)

    Fiscor, S.

    2005-06-01

    Joint efforts between mine operators, OEMs, and researchers yields unexpected benefits from dippers for shovels for coal, oil, or hardrock mining that can now be tailored to meet site-specific conditions. The article outlines a process being developed by CRCMining and P & H MIning Equipment to optimise the dipper that involves rapid prototyping and scale modelling of the dipper and the mine conditions. Scale models have been successfully field tested. 2 photos.

  19. Host Genetics: Fine-Tuning Innate Signaling

    OpenAIRE

    Fellay, Jacques; Goldstein, David B.

    2007-01-01

    A polymorphism modulating innate immunity signal transduction has recently been shown to influence human susceptibility to many different infections, providing one more indication of the potential of host genetics to reveal physiological pathways and mechanisms that influence resistance to infectious diseases.

  20. Riboregulators: Fine-Tuning Virulence in Shigella.

    Science.gov (United States)

    Fris, Megan E; Murphy, Erin R

    2016-01-01

    Within the past several years, RNA-mediated regulation (ribo-regulation) has become increasingly recognized for its importance in controlling critical bacterial processes. Regulatory RNA molecules, or riboregulators, are perpetually responsive to changes within the micro-environment of a bacterium. Notably, several characterized riboregulators control virulence in pathogenic bacteria, as is the case for each riboregulator characterized to date in Shigella. The timing of virulence gene expression and the ability of the pathogen to adapt to rapidly changing environmental conditions is critical to the establishment and progression of infection by Shigella species; ribo-regulators mediate each of these important processes. This mini review will present the current state of knowledge regarding RNA-mediated regulation in Shigella by detailing the characterization and function of each identified riboregulator in these pathogens.

  1. "Fine-tuning" durch interkulturelles Coaching

    OpenAIRE

    Steixner, Margret

    2009-01-01

    Margret Steixner plädiert in ihrem Beitrag für eine Integration des interkulturellen Coachings in andere Bereiche des Coachings. Basierend auf einer Coaching-Fallstudie entwickelt die Autorin einen hilfreichen Fragenkatalog für das interkulturelle Coaching. Intercultural Coaching identifies and develops intercultural competence as a key to success in the international and globalised work environment. Coaching in general has gained recognition as a very suitable method for competence develo...

  2. Transcriptomics of the interaction between the monopartite phloem-limited geminivirus tomato yellow leaf curl Sardinia virus and Solanum lycopersicum highlights a role for plant hormones, autophagy and plant immune system fine tuning during infection.

    Directory of Open Access Journals (Sweden)

    Laura Miozzi

    Full Text Available Tomato yellow leaf curl Sardinia virus (TYLCSV, a DNA virus belonging to the genus Begomovirus, causes severe losses in tomato crops. It infects only a limited number of cells in the vascular tissues, making difficult to detect changes in host gene expression linked to its presence. Here we present the first microarray study of transcriptional changes induced by the phloem-limited geminivirus TYLCSV infecting tomato, its natural host. The analysis was performed on the midrib of mature leaves, a material naturally enriched in vascular tissues. A total of 2206 genes were up-regulated and 1398 were down-regulated in infected plants, with an overrepresentation of genes involved in hormone metabolism and responses, nucleic acid metabolism, regulation of transcription, ubiquitin-proteasome pathway and autophagy among those up-regulated, and in primary and secondary metabolism, phosphorylation, transcription and methylation-dependent chromatin silencing among those down-regulated. Our analysis showed a series of responses, such as the induction of GA- and ABA-responsive genes, the activation of the autophagic process and the fine tuning of the plant immune system, observed only in TYLCSV-tomato compatible interaction so far. On the other hand, comparisons with transcriptional changes observed in other geminivirus-plant interactions highlighted common host responses consisting in the deregulation of biotic stress responsive genes, key enzymes in the ethylene biosynthesis and methylation cycle, components of the ubiquitin proteasome system and DNA polymerases II. The involvement of conserved miRNAs and of solanaceous- and tomato-specific miRNAs in geminivirus infection, investigated by integrating differential gene expression data with miRNA targeting data, is discussed.

  3. Ethylene/ethane permeation, diffusion and gas sorption properties of carbon molecular sieve membranes derived from the prototype ladder polymer of intrinsic microporosity (PIM-1)

    KAUST Repository

    Salinas, Octavio; Ma, Xiaohua; Litwiller, Eric; Pinnau, Ingo

    2016-01-01

    Fine-tuning the microporosity of PIM-1 by heat treatment was applied to develop a suitable carbon molecular sieve membrane for ethylene/ethane separation. Pristine PIM-1 films were heated from 400 to 800 °C under inert N2 atmosphere (< 2 ppm O2

  4. The fine tuning of carotenoid–chlorophyll interactions in light-harvesting complexes: an important requisite to guarantee efficient photoprotection via triplet–triplet energy transfer in the complex balance of the energy transfer processes

    International Nuclear Information System (INIS)

    Di Valentin, Marilena; Carbonera, Donatella

    2017-01-01

    Triplet–triplet energy transfer (TTET) from the chlorophyll to the carotenoid triplet state is the process exploited by photosynthetic systems to protect themselves from singlet oxygen formation under light-stress conditions. A deep comprehension of the molecular strategies adopted to guarantee TTET efficiency, while at the same time maintaining minimal energy loss and efficient light-harvesting capability, is still lacking. The paramagnetic nature of the triplet state makes electron paramagnetic resonance (EPR) the method of choice when investigating TTET. In this review, we focus on our extended comparative study of two photosynthetic antenna complexes, the Peridinin–chlorophyll a -protein of dinoflagellates and the light-harvesting complex II of higher plants, in order to point out important aspects of the molecular design adopted in the photoprotection strategy. We have demonstrated that a proper analysis of the EPR data allows one to identify the pigments involved in TTET and, consequently, gain an insight into the structure of the photoprotective sites. The structural information has been complemented by a detailed description of the electronic structure provided by hyperfine spectroscopy. All these elements represent the fundamental building blocks toward a deeper understanding of the requirements for efficient photoprotection, which is fundamental to guarantee the prolonged energy conversion action of photosynthesis. (topical review)

  5. Fine-Tuning the Energy Levels of a Nonfullerene Small-Molecule Acceptor to Achieve a High Short-Circuit Current and a Power Conversion Efficiency over 12% in Organic Solar Cells.

    Science.gov (United States)

    Kan, Bin; Zhang, Jiangbin; Liu, Feng; Wan, Xiangjian; Li, Chenxi; Ke, Xin; Wang, Yunchuang; Feng, Huanran; Zhang, Yamin; Long, Guankui; Friend, Richard H; Bakulin, Artem A; Chen, Yongsheng

    2018-01-01

    Organic solar cell optimization requires careful balancing of current-voltage output of the materials system. Here, such optimization using ultrafast spectroscopy as a tool to optimize the material bandgap without altering ultrafast photophysics is reported. A new acceptor-donor-acceptor (A-D-A)-type small-molecule acceptor NCBDT is designed by modification of the D and A units of NFBDT. Compared to NFBDT, NCBDT exhibits upshifted highest occupied molecular orbital (HOMO) energy level mainly due to the additional octyl on the D unit and downshifted lowest unoccupied molecular orbital (LUMO) energy level due to the fluorination of A units. NCBDT has a low optical bandgap of 1.45 eV which extends the absorption range toward near-IR region, down to ≈860 nm. However, the 60 meV lowered LUMO level of NCBDT hardly changes the V oc level, and the elevation of the NCBDT HOMO does not have a substantial influence on the photophysics of the materials. Thus, for both NCBDT- and NFBDT-based systems, an unusually slow (≈400 ps) but ultimately efficient charge generation mediated by interfacial charge-pair states is observed, followed by effective charge extraction. As a result, the PBDB-T:NCBDT devices demonstrate an impressive power conversion efficiency over 12%-among the best for solution-processed organic solar cells. © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  6. Fine-tuning the activity of oxygen evolution catalysts

    DEFF Research Database (Denmark)

    Paoli, Elisa Antares; Masini, Federico; Frydendal, Rasmus

    2016-01-01

    Water splitting is hindered by the sluggish kinetics of the oxygen evolution reaction (OER). The choice of materials for this reaction in acid is limited to the platinum group metals; high loading required of these scarce and expensive elements severely limit the scalability of such technology...

  7. Fine-Tuning ADAS Algorithm Parameters for Optimizing Traffic ...

    Science.gov (United States)

    With the development of the Connected Vehicle technology that facilitates wirelessly communication among vehicles and road-side infrastructure, the Advanced Driver Assistance Systems (ADAS) can be adopted as an effective tool for accelerating traffic safety and mobility optimization at various highway facilities. To this end, the traffic management centers identify the optimal ADAS algorithm parameter set that enables the maximum improvement of the traffic safety and mobility performance, and broadcast the optimal parameter set wirelessly to individual ADAS-equipped vehicles. After adopting the optimal parameter set, the ADAS-equipped drivers become active agents in the traffic stream that work collectively and consistently to prevent traffic conflicts, lower the intensity of traffic disturbances, and suppress the development of traffic oscillations into heavy traffic jams. Successful implementation of this objective requires the analysis capability of capturing the impact of the ADAS on driving behaviors, and measuring traffic safety and mobility performance under the influence of the ADAS. To address this challenge, this research proposes a synthetic methodology that incorporates the ADAS-affected driving behavior modeling and state-of-the-art microscopic traffic flow modeling into a virtually simulated environment. Building on such an environment, the optimal ADAS algorithm parameter set is identified through an optimization programming framework to enable th

  8. Fine-tuning satellite-based rainfall estimates

    Science.gov (United States)

    Harsa, Hastuadi; Buono, Agus; Hidayat, Rahmat; Achyar, Jaumil; Noviati, Sri; Kurniawan, Roni; Praja, Alfan S.

    2018-05-01

    Rainfall datasets are available from various sources, including satellite estimates and ground observation. The locations of ground observation scatter sparsely. Therefore, the use of satellite estimates is advantageous, because satellite estimates can provide data on places where the ground observations do not present. However, in general, the satellite estimates data contain bias, since they are product of algorithms that transform the sensors response into rainfall values. Another cause may come from the number of ground observations used by the algorithms as the reference in determining the rainfall values. This paper describe the application of bias correction method to modify the satellite-based dataset by adding a number of ground observation locations that have not been used before by the algorithm. The bias correction was performed by utilizing Quantile Mapping procedure between ground observation data and satellite estimates data. Since Quantile Mapping required mean and standard deviation of both the reference and the being-corrected data, thus the Inverse Distance Weighting scheme was applied beforehand to the mean and standard deviation of the observation data in order to provide a spatial composition of them, which were originally scattered. Therefore, it was possible to provide a reference data point at the same location with that of the satellite estimates. The results show that the new dataset have statistically better representation of the rainfall values recorded by the ground observation than the previous dataset.

  9. Thymidine kinase 1 regulatory fine-tuning through tetramer formation

    DEFF Research Database (Denmark)

    Mutahir, Zeeshan; Clausen, Anders R.; Andersson, Karl-Magnus

    2013-01-01

    in higher vertebrates and was especially pronounced in mammalian and bird TK1s. We suggest that the dimer form is the original form and that the tetramer originated in the animal lineage after the split of Dictyostelium and the lineages leading to invertebrates and vertebrates. The efficient switching...

  10. Fine-tuning the feature size of nanoporous silver

    NARCIS (Netherlands)

    Detsi, Eric; Vukovic, Zorica; Punzhin, Sergey; Bronsveld, Paul M.; Onck, Patrick R.; De Hosson, Jeff Th M.

    2012-01-01

    We show that the characteristic ligament size of nanoporous Ag synthesized by chemical dissolution of Al from Ag-Al alloys can be tuned from the current submicrometer size (similar to 100-500 nm) down to a much smaller length scale (similar to 30-60 nm). This is achieved by suppressing the formation

  11. Fine-tuning structural RNA alignments in the twilight zone

    Directory of Open Access Journals (Sweden)

    Schirmer Stefanie

    2010-04-01

    Full Text Available Abstract Background A widely used method to find conserved secondary structure in RNA is to first construct a multiple sequence alignment, and then fold the alignment, optimizing a score based on thermodynamics and covariance. This method works best around 75% sequence similarity. However, in a "twilight zone" below 55% similarity, the sequence alignment tends to obscure the covariance signal used in the second phase. Therefore, while the overall shape of the consensus structure may still be found, the degree of conservation cannot be estimated reliably. Results Based on a combination of available methods, we present a method named planACstar for improving structure conservation in structural alignments in the twilight zone. After constructing a consensus structure by alignment folding, planACstar abandons the original sequence alignment, refolds the sequences individually, but consistent with the consensus, aligns the structures, irrespective of sequence, by a pure structure alignment method, and derives an improved sequence alignment from the alignment of structures, to be re-submitted to alignment folding, etc.. This circle may be iterated as long as structural conservation improves, but normally, one step suffices. Conclusions Employing the tools ClustalW, RNAalifold, and RNAforester, we find that for sequences with 30-55% sequence identity, structural conservation can be improved by 10% on average, with a large variation, measured in terms of RNAalifold's own criterion, the structure conservation index.

  12. Metal nanostructures for the enhancement of the Raman response of molecular adsorbates

    Science.gov (United States)

    Giorgetti, Emilia; Giammanco, Francesco; Margheri, Giancarlo; Trigari, Silvana; Muniz-Miranda, Maurizio

    2011-08-01

    Spectroscopic investigation of metallic nanostructures of different size and morphology is presented, with particular focus on the capability of enhancing the Raman response of molecular adsorbates, namely on their SERS properties. In this framework, we describe recent results obtained with Au/Ag nanocages and Au nanostars, which can be used conveniently to shift the extinction spectra and the SERS activity up to the near infrared. In the case of nanostars, we present a synthesis procedure which permits fine tuning of their morphology and extinction, thus allowing preparation of structures with controlled SERS activity from 500 up to 1500 nm.

  13. Immobilized enzymes: understanding enzyme - surface interactions at the molecular level.

    Science.gov (United States)

    Hoarau, Marie; Badieyan, Somayesadat; Marsh, E Neil G

    2017-11-22

    Enzymes immobilized on solid supports have important and industrial and medical applications. However, their uses are limited by the significant reductions in activity and stability that often accompany the immobilization process. Here we review recent advances in our understanding of the molecular level interactions between proteins and supporting surfaces that contribute to changes in stability and activity. This understanding has been facilitated by the application of various surface-sensitive spectroscopic techniques that allow the structure and orientation of enzymes at the solid/liquid interface to be probed, often with monolayer sensitivity. An appreciation of the molecular interactions between enzyme and surface support has allowed the surface chemistry and method of enzyme attachement to be fine-tuned such that activity and stability can be greatly enhanced. These advances suggest that a much wider variety of enzymes may eventually be amenable to immobilization as green catalysts.

  14. First-in-Human Ultrasound Molecular Imaging With a VEGFR2-Specific Ultrasound Molecular Contrast Agent (BR55) in Prostate Cancer: A Safety and Feasibility Pilot Study.

    Science.gov (United States)

    Smeenge, Martijn; Tranquart, François; Mannaerts, Christophe K; de Reijke, Theo M; van de Vijver, Marc J; Laguna, M Pilar; Pochon, Sibylle; de la Rosette, Jean J M C H; Wijkstra, Hessel

    2017-07-01

    BR55, a vascular endothelial growth factor receptor 2 (VEGFR2)-specific ultrasound molecular contrast agent (MCA), has shown promising results in multiple preclinical models regarding cancer imaging. In this first-in-human, phase 0, exploratory study, we investigated the feasibility and safety of the MCA for the detection of prostate cancer (PCa) in men using clinical standard technology. Imaging with the MCA was performed in 24 patients with biopsy-proven PCa scheduled for radical prostatectomy using a clinical ultrasound scanner at low acoustic power. Safety monitoring was done by physical examination, blood pressure and heart rate measurements, electrocardiogram, and blood sampling. As first-in-human study, MCA dosing and imaging protocol were necessarily fine-tuned along the enrollment to improve visualization. Imaging data were correlated with radical prostatectomy histopathology to analyze the detection rate of ultrasound molecular imaging with the MCA. Imaging with MCA doses of 0.03 and 0.05 mL/kg was adequate to obtain contrast enhancement images up to 30 minutes after administration. No serious adverse events or clinically meaningful changes in safety monitoring data were identified during or after administration. BR55 dosing and imaging were fine-tuned in the first 12 patients leading to 12 subsequent patients with an improved MCA dosing and imaging protocol. Twenty-three patients underwent radical prostatectomy. A total of 52 lesions were determined to be malignant by histopathology with 26 (50%) of them seen during BR55 imaging. In the 11 patients that were scanned with the improved protocol and underwent radical prostatectomy, a total of 28 malignant lesions were determined: 19 (68%) were seen during BR55 ultrasound molecular imaging, whereas 9 (32%) were not identified. Ultrasound molecular imaging with BR55 is feasible with clinical standard technology and demonstrated a good safety profile. Detectable levels of the MCA can be reached in patients

  15. Acid-Labile Acyclic Cucurbit[n]uril Molecular Containers for Controlled Release.

    Science.gov (United States)

    Mao, Dake; Liang, Yajun; Liu, Yamin; Zhou, Xianhao; Ma, Jiaqi; Jiang, Biao; Liu, Jia; Ma, Da

    2017-10-02

    Stimuli-responsive molecular containers are of great importance for controlled drug delivery and other biomedical applications. A new type of acid labile acyclic cucurbit[n]uril (CB[n]) molecular containers is presented that can degrade and release the encapsulated cargo at accelerated rates under mildly acidic conditions (pH 5.5-6.5). These containers retain the excellent recognition properties of CB[n]-type hosts. A cell culture study demonstrated that the cellular uptake of cargos could be fine-tuned by complexation with different containers. The release and cell uptake of cargo dye was promoted by acidic pH. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  16. Topology and parameter data of thirteen non-natural amino acids for molecular simulations with CHARMM22

    Directory of Open Access Journals (Sweden)

    Olujide O. Olubiyi

    2016-12-01

    Full Text Available In this article we provide a data package containing the topology files and parameters compatible with the CHARMM22 force field for thirteen non-natural amino acids. The force field parameters were derived based on quantum mechanical (QM calculations involving geometry optimization and potential energy surface scanning at the HF 6-31G(d and HF 6-311G(d,p levels of theory. The resulting energy data points were fitted to mathematical functions representing each component of the CHARMM22 force field. Further fine-tuning of the parameters utilized molecular mechanics energies, which were iteratively calculated and compared to the corresponding QM values until the latter were satisfactorily reproduced. The final force field data were validated with molecular dynamics simulations in explicit solvent conditions.

  17. Thin film phase diagram of iron nitrides grown by molecular beam epitaxy

    Science.gov (United States)

    Gölden, D.; Hildebrandt, E.; Alff, L.

    2017-01-01

    A low-temperature thin film phase diagram of the iron nitride system is established for the case of thin films grown by molecular beam epitaxy and nitrided by a nitrogen radical source. A fine-tuning of the nitridation conditions allows for growth of α ‧ -Fe8Nx with increasing c / a -ratio and magnetic anisotropy with increasing x until almost phase pure α ‧ -Fe8N1 thin films are obtained. A further increase of nitrogen content below the phase decomposition temperature of α ‧ -Fe8N (180 °C) leads to a mixture of several phases that is also affected by the choice of substrate material and symmetry. At higher temperatures (350 °C), phase pure γ ‧ -Fe4N is the most stable phase.

  18. Molecular improvements in microbial α-amylases for enhanced stability and catalytic efficiency.

    Science.gov (United States)

    Sindhu, Raveendran; Binod, Parameswaran; Madhavan, Aravind; Beevi, Ummalyma Sabeela; Mathew, Anil Kuruvilla; Abraham, Amith; Pandey, Ashok; Kumar, Vinod

    2017-12-01

    α-Amylases is one of the most important industrial enzyme which contributes to 25% of the industrial enzyme market. Though it is produced by plant, animals and microbial source, those from microbial source seems to have potential applications due to their stability and economic viability. However a large number of α-amylases from different sources have been detailed in the literature, only few numbers of them could withstand the harsh industrial conditions. Thermo-stability, pH tolerance, calcium independency and oxidant stability and starch hydrolyzing efficiency are the crucial qualities for α-amylase in starch based industries. Microbes can be genetically modified and fine tuning can be done for the production of enzymes with desired characteristics for specific applications. This review focuses on the native and recombinant α-amylases from microorganisms, their heterologous production and the recent molecular strategies which help to improve the properties of this industrial enzyme. Copyright © 2017 Elsevier Ltd. All rights reserved.

  19. Membrane vesiculation induced by proteins of the dengue virus envelope studied by molecular dynamics simulations

    Science.gov (United States)

    de Oliveira dos Santos Soares, Ricardo; Oliveira Bortot, Leandro; van der Spoel, David; Caliri, Antonio

    2017-12-01

    Biological membranes are continuously remodeled in the cell by specific membrane-shaping machineries to form, for example, tubes and vesicles. We examine fundamental mechanisms involved in the vesiculation processes induced by a cluster of envelope (E) and membrane (M) proteins of the dengue virus (DENV) using molecular dynamics simulations and a coarse-grained model. We show that an arrangement of three E-M heterotetramers (EM3) works as a bending unit and an ordered cluster of five such units generates a closed vesicle, reminiscent of the virus budding process. In silico mutagenesis of two charged residues of the anchor helices of the envelope proteins of DENV shows that Arg-471 and Arg-60 are fundamental to produce bending stress on the membrane. The fine-tuning between the size of the EM3 unit and its specific bending action suggests this protein unit is an important factor in determining the viral particle size.

  20. Towards 'selection rules' in the radiation chemistry of molecular materials

    International Nuclear Information System (INIS)

    Feldman, V.I.; Inst. of Synthetic Polymetric Materials, Moscow; Moscow State Univ.

    2002-01-01

    Complete text of publication follows. There are a lot of experimental evidences suggesting that the primary radiation-induced events in organic solids and polymers are highly selective and sensitive to conformation, molecular packing, matrix environment, etc. Nevertheless, specific 'selection rules' in the radiation chemistry of molecules in solids are still not established. This contribution presents a review of our recent studies of the radiation damage in organic molecules in low-temperature matrices and polymers aimed at elucidation of basic physical factors controlling selectivity of the primary chemical events. The following aspects will be analyzed: 1. 'Fine tuning' effects in positive hole trapping in rigid systems containing molecular 'traps' with close ionization energy. 2. Selective chemical bond weakening in ionized molecules: experimental and theoretical results. 3. Matrix-assisted and matrix-controlled chemical reactions of ionized molecules in solid media (including the effect of 'matrix-catalysis'). 4. Effect of excess energy on the fate of ionized molecules in solid matrices: the role of intramolecular and intermolecular relaxation. Finally, the problem of experimental and theoretical simulation of the distribution of the radiation-induced events in complex molecular systems and polymers will be addressed

  1. Fine tuning of process parameters for improving briquette production from palm kernel shell gasification waste.

    Science.gov (United States)

    Bazargan, Alireza; Rough, Sarah L; McKay, Gordon

    2018-04-01

    Palm kernel shell biochars (PKSB) ejected as residues from a gasifier have been used for solid fuel briquette production. With this approach, palm kernel shells can be used for energy production twice: first, by producing rich syngas during gasification; second, by compacting the leftover residues from gasification into high calorific value briquettes. Herein, the process parameters for the manufacture of PKSB biomass briquettes via compaction are optimized. Two possible optimum process scenarios are considered. In the first, the compaction speed is increased from 0.5 to 10 mm/s, the compaction pressure is decreased from 80 Pa to 40 MPa, the retention time is reduced from 10 s to zero, and the starch binder content of the briquette is halved from 0.1 to 0.05 kg/kg. With these adjustments, the briquette production rate increases by more than 20-fold; hence capital and operational costs can be reduced and the service life of compaction equipment can be increased. The resulting product satisfactorily passes tensile (compressive) crushing strength and impact resistance tests. The second scenario involves reducing the starch weight content to 0.03 kg/kg, while reducing the compaction pressure to a value no lower than 60 MPa. Overall, in both cases, the PKSB biomass briquettes show excellent potential as a solid fuel with calorific values on par with good-quality coal. CHNS: carbon, hydrogen, nitrogen, sulfur; FFB: fresh fruit bunch(es); HHV: higher heating value [J/kg]; LHV: lower heating value [J/kg]; PKS: palm kernel shell(s); PKSB: palm kernel shell biochar(s); POME: palm oil mill effluent; RDF: refuse-derived fuel; TGA: thermogravimetric analysis.

  2. High Efficiency Multijunction Solar Cells with Finely-Tuned Quantum Wells

    Science.gov (United States)

    Varonides, Argyrios C.

    The field of high efficiency (inorganic) photovoltaics (PV) is rapidly maturing in both efficiency goals and cover all cost reduction of fabrication. On one hand, know-how from space industry in new solar cell design configurations and on the other, fabrication cost reduction challenges for terrestrial uses of solar energy, have paved the way to a new generation of PV devices, capable of capturing most of the solar spectrum. For quite a while now, the goal of inorganic solar cell design has been the total (if possible) capture-absorption of the solar spectrum from a single solar cell, designed in such a way that a multiple of incident wavelengths could be simultaneously absorbed. Multi-absorption in device physics indicates parallel existence of different materials that absorb solar photons of different energies. Bulk solid state devices absorb at specific energy thresholds, depending on their respective energy gap (EG). More than one energy gaps would on principle offer new ways of photon absorption: if such a structure could be fabricated, two or more groups of photons could be absorbed simultaneously. The point became then what lattice-matched semiconductor materials could offer such multiple levels of absorption without much recombination losses. It was soon realized that such layer multiplicity combined with quantum size effects could lead to higher efficiency collection of photo-excited carriers. At the moment, the main reason that slows down quantum effect solar cell production is high fabrication cost, since it involves primarily expensive methods of multilayer growth. Existing multi-layer cells are fabricated in the bulk, with three (mostly) layers of lattice-matched and non-lattice-matched (pseudo-morphic) semiconductor materials (GaInP/InGaN etc), where photo-carrier collection occurs in the bulk of the base (coming from the emitter which lies right under the window layer). These carriers are given excess to conduction via tunnel junction (grown between at each interface and connecting the layers in series). This basic idea of a design has proven very successful in recent years, leading to solar cells of efficiency levels well above 30% (Fraunhofer Institute's multi-gap solar cell at 40.8%, and NREL's device at 40.2% respectively). Successful alloys have demonstrated high performance, such as InxGa1 - xP alloys (x (%) of gallium phosphide and (1 - x) (%) of indium phosphide). Other successful candidates, in current use and perpetual cell design consideration, are the lattice-matched GaAs/AlGaAs and InP/GaAs pairs or AlAs/GaAs/GaAs triple layers and alloys, which are heavily used in both solar and the electronics industry.

  3. Fine Tuning of Basic Forces through the Existence of Carbon-Based Life

    CERN Multimedia

    CERN. Geneva

    2001-01-01

    The bulk of the carbon in our universe is produced in the triple-alpha process in helium-burning red giant stars. We calculated the change of the triple-alpha reaction rate in a microscopic twelve-nucleon model of the 12C nucleus and looked for the effects of minimal variations of the strengths of the underlying strong and Coulomb interactions. Stellar model calculations are performed using the alternative reaction rates. We show that outside a narrow window of 0.5% of the strength or range of the strong interaction the stellar production of carbon or oxygen is reduced by factors of 130 to 1000. Therefore, outside this window the existence of carbon-based life in our universe would be strongly disfavored. These anthropically allowed strengths of the strong and electromagnetic forces also constrain the sum of the light quark masses and the Higgs vacuum expectation value.

  4. Regulation of tooth number by fine-tuning levels of receptor-tyrosine kinase signaling

    Czech Academy of Sciences Publication Activity Database

    Charles, C.; Hovořáková, Mária; Ahn, Y.; Lyons, D. B.; Marangoni, P.; Churavá, Svatava; Biehs, B.; Jheon, A.; Lesot, H.; Balooch, G.; Krumlauf, R.; Viriot, L.; Peterková, Renata; Klein, O. D.

    2011-01-01

    Roč. 138, č. 18 (2011), s. 4063-4073 ISSN 0950-1991 R&D Projects: GA ČR GA304/09/1579; GA ČR GA304/07/0223 Institutional research plan: CEZ:AV0Z50390512 Keywords : FGF signaling * Sprouty genes * Incisor Subject RIV: EA - Cell Biology Impact factor: 6.596, year: 2011

  5. Rational diversification of a promoter providing fine-tuned expression and orthogonal regulation for synthetic biology.

    Science.gov (United States)

    Blount, Benjamin A; Weenink, Tim; Vasylechko, Serge; Ellis, Tom

    2012-01-01

    Yeast is an ideal organism for the development and application of synthetic biology, yet there remain relatively few well-characterised biological parts suitable for precise engineering of this chassis. In order to address this current need, we present here a strategy that takes a single biological part, a promoter, and re-engineers it to produce a fine-graded output range promoter library and new regulated promoters desirable for orthogonal synthetic biology applications. A highly constitutive Saccharomyces cerevisiae promoter, PFY1p, was identified by bioinformatic approaches, characterised in vivo and diversified at its core sequence to create a 36-member promoter library. TetR regulation was introduced into PFY1p to create a synthetic inducible promoter (iPFY1p) that functions in an inverter device. Orthogonal and scalable regulation of synthetic promoters was then demonstrated for the first time using customisable Transcription Activator-Like Effectors (TALEs) modified and designed to act as orthogonal repressors for specific PFY1-based promoters. The ability to diversify a promoter at its core sequences and then independently target Transcription Activator-Like Orthogonal Repressors (TALORs) to virtually any of these sequences shows great promise toward the design and construction of future synthetic gene networks that encode complex "multi-wire" logic functions.

  6. Arabidopsis ATRX Modulates H3.3 Occupancy and Fine-Tunes Gene Expression

    KAUST Repository

    Duc, Cé line; Benoit, Matthias; Dé tourné , Gwé naë lle; Simon, Lauriane; Poulet, Axel; Jung, Matthieu; Veluchamy, Alaguraj; Latrasse, David; Le Goff, Samuel; Cotterell, Sylviane; Tatout, Christophe; Benhamed, Moussa; Probst, Aline V.

    2017-01-01

    , including the 45S ribosomal DNA (45S rDNA) loci, where loss of ATRX results in altered expression of specific 45S rDNA sequence variants. At the genome-wide scale, our data indicate that ATRX modifies gene expression concomitantly to H3.3 deposition at a set

  7. A fine-tuned Metal-Organic Framework for Autonomous Indoor Moisture Control .

    KAUST Repository

    AbdulHalim, Rasha; Bhatt, Prashant; Belmabkhout, Youssef; Shkurenko, Aleksander; Adil, Karim; Barbour, Leonard J.; Eddaoudi, Mohamed

    2017-01-01

    number (thousand) of conducted water vapor adsorption-desorption cycles. The retained structural integrity and the mechanism of water sorption were corroborated using in situ single crystal X-ray diffraction (SCXRD) studies. The resultant working water

  8. Arabidopsis ATRX Modulates H3.3 Occupancy and Fine-Tunes Gene Expression

    KAUST Repository

    Duc, Céline

    2017-07-07

    Histones are essential components of the nucleosome, the major chromatin subunit that structures linear DNA molecules and regulates access of other proteins to DNA. Specific histone chaperone complexes control the correct deposition of canonical histones and their variants to modulate nucleosome structure and stability. In this study, we characterize the Arabidopsis Alpha Thalassemia-mental Retardation X-linked (ATRX) ortholog and show that ATRX is involved in histone H3 deposition. Arabidopsis ATRX mutant alleles are viable, but show developmental defects and reduced fertility. Their combination with mutants of the histone H3.3 chaperone HIRA (Histone Regulator A) results in impaired plant survival, suggesting that HIRA and ATRX function in complementary histone deposition pathways. Indeed, ATRX loss of function alters cellular histone H3.3 pools and in consequence modulates the H3.1/H3.3 balance in the cell. H3.3 levels are affected especially at genes characterized by elevated H3.3 occupancy, including the 45S ribosomal DNA (45S rDNA) loci, where loss of ATRX results in altered expression of specific 45S rDNA sequence variants. At the genome-wide scale, our data indicate that ATRX modifies gene expression concomitantly to H3.3 deposition at a set of genes characterized both by elevated H3.3 occupancy and high expression. Altogether, our results show that ATRX is involved in H3.3 deposition and emphasize the role of histone chaperones in adjusting genome expression.

  9. Rational Diversification of a Promoter Providing Fine-Tuned Expression and Orthogonal Regulation for Synthetic Biology

    Science.gov (United States)

    Blount, Benjamin A.; Weenink, Tim; Vasylechko, Serge; Ellis, Tom

    2012-01-01

    Yeast is an ideal organism for the development and application of synthetic biology, yet there remain relatively few well-characterised biological parts suitable for precise engineering of this chassis. In order to address this current need, we present here a strategy that takes a single biological part, a promoter, and re-engineers it to produce a fine-graded output range promoter library and new regulated promoters desirable for orthogonal synthetic biology applications. A highly constitutive Saccharomyces cerevisiae promoter, PFY1p, was identified by bioinformatic approaches, characterised in vivo and diversified at its core sequence to create a 36-member promoter library. TetR regulation was introduced into PFY1p to create a synthetic inducible promoter (iPFY1p) that functions in an inverter device. Orthogonal and scalable regulation of synthetic promoters was then demonstrated for the first time using customisable Transcription Activator-Like Effectors (TALEs) modified and designed to act as orthogonal repressors for specific PFY1-based promoters. The ability to diversify a promoter at its core sequences and then independently target Transcription Activator-Like Orthogonal Repressors (TALORs) to virtually any of these sequences shows great promise toward the design and construction of future synthetic gene networks that encode complex “multi-wire” logic functions. PMID:22442681

  10. Bottom-up photonic crystal approach with top-down defect and heterostructure fine-tuning.

    Science.gov (United States)

    Ding, Tao; Song, Kai; Clays, Koen; Tung, Chen-Ho

    2010-03-16

    We combine the most efficient (chemical) approach toward three-dimensional photonic crystals with the most convenient (physical) technique for creating non-close-packed crystalline structures. Self-assembly of colloidal particles in artificial opals is followed by a carefully tuned plasma etching treatment. By covering the resulting top layer of more open structure with original dense opal, embedded defect layers and heterostructures can be conveniently designed for advanced photonic band gap and band edge engineering.

  11. Power Plan: High School Fine-Tunes Instruction to Build Reading Strength and Stamina

    Science.gov (United States)

    Fisher, Douglas; Frey, Nancy

    2016-01-01

    The following comment was inspired by an English teacher at Health Sciences High & Middle College in San Diego, California: "There's still a question on the table. How can we get our students to read more and better? They read what they have to, and they're doing OK, but how do we ensure that they are ready for what comes after high…

  12. Fine-Tuning ADAS Algorithm Parameters for Optimizing Traffic Safety and Mobility in Connected Vehicle Environment

    Science.gov (United States)

    With the development of Connected Vehicle Technology that facilitates wireless communication among vehicles and road-side infrastructure, the Advanced Driver Assistance Systems (ADAS) can be adopted as an effective tool for accelerating traffic safety and mobility optimization at...

  13. Fine-Tuning Nonhomogeneous Regression for Probabilistic Precipitation Forecasts: Unanimous Predictions, Heavy Tails, and Link Functions

    DEFF Research Database (Denmark)

    Gebetsberger, Manuel; Messner, Jakob W.; Mayr, Georg J.

    2017-01-01

    functions for the optimization of regression coefficients for the scale parameter. These three refinements are tested for 10 stations in a small area of the European Alps for lead times from +24 to +144 h and accumulation periods of 24 and 6 h. Together, they improve probabilistic forecasts...... to obtain automatically corrected weather forecasts. This study applies the nonhomogenous regression framework as a state-of-the-art ensemble postprocessing technique to predict a full forecast distribution and improves its forecast performance with three statistical refinements. First of all, a novel split...... for precipitation amounts as well as the probability of precipitation events over the default postprocessing method. The improvements are largest for the shorter accumulation periods and shorter lead times, where the information of unanimous ensemble predictions is more important....

  14. Endogenous GABA and Glutamate Finely Tune the Bursting of Olfactory Bulb External Tufted Cells

    Science.gov (United States)

    Hayar, Abdallah; Ennis, Matthew

    2008-01-01

    In rat olfactory bulb slices, external tufted (ET) cells spontaneously generate spike bursts. Although ET cell bursting is intrinsically generated, its strength and precise timing may be regulated by synaptic input. We tested this hypothesis by analyzing whether the burst properties are modulated by activation of ionotropic γ-aminobutyric acid (GABA) and glutamate receptors. Blocking GABAA receptors increased—whereas blocking ionotropic glutamate receptors decreased—the number of spikes/burst without changing the interburst frequency. The GABAA agonist (isoguvacine, 10 μM) completely inhibited bursting or reduced the number of spikes/burst, suggesting a shunting effect. These findings indicate that the properties of ET cell spontaneous bursting are differentially controlled by GABAergic and glutamatergic fast synaptic transmission. We suggest that ET cell excitatory and inhibitory inputs may be encoded as a change in the pattern of spike bursting in ET cells, which together with mitral/tufted cells constitute the output circuit of the olfactory bulb. PMID:17567771

  15. Hidden Fine Tuning In The Quark Sector Of Little Higgs Models

    CERN Document Server

    Grinstein, Benjamin; Uttayarat, Patipan

    2010-01-01

    In Little Higgs models a collective symmetry prevents the higgs from acquiring a quadratically divergent mass at one loop. We have previously shown that the couplings in the Littlest Higgs model introduced to give the top quark a mass do not naturally respect the collective symmetry. We extend our previous work showing that the problem is generic: it arises from the fact that the would be collective symmetry of any one top quark mass term is broken by gauge interactions.

  16. Oligomerization of Bacillus subtilis DesR is required for fine tuning regulation of membrane fluidity.

    Science.gov (United States)

    Najle, Sebastián R; Inda, María E; de Mendoza, Diego; Cybulski, Larisa E

    2009-10-01

    The DesK-DesR two-component system regulates the order of membrane lipids in the bacterium Bacillus subtilis by controlling the expression of the des gene coding for the delta 5-acyl-lipid desaturase. To activate des transcription, the membrane-bound histidine kinase DesK phosphorylates the response regulator DesR. This covalent modification of the regulatory domain of dimeric DesR promotes, in a cooperative fashion, the hierarchical occupation of two adjacent, non-identical, DesR-P binding sites, so that there is a shift in the equilibrium toward the tetrameric active form of the response regulator. However, the mechanism of regulation of DesR activity by phosphorylation and oligomerization is not well understood. We employed deletion analysis and reporter fusions to study the role of the N-terminal domain on DesR activity. In addition, electromobility shift assays were used to analyze the binding capacity of the transcription factor to deletion mutants of the des promoter. We show that DesR lacking the N-terminal domain is still able to bind to the des promoter. We also demonstrate that if the RA site is moved closer to the -35 region of Pdes, the adjacent site RB is dispensable for activation. Our results indicate that the unphosphorylated regulatory domain of DesR obstructs the access of the recognition helix of DesR to its DNA target. In addition, we present evidence showing that RB is physiologically relevant to control the activation of the des gene when the levels of DesR-P reach a critical threshold.

  17. The insulator protein SU(HW fine-tunes nuclear lamina interactions of the Drosophila genome.

    Directory of Open Access Journals (Sweden)

    Joke G van Bemmel

    Full Text Available Specific interactions of the genome with the nuclear lamina (NL are thought to assist chromosome folding inside the nucleus and to contribute to the regulation of gene expression. High-resolution mapping has recently identified hundreds of large, sharply defined lamina-associated domains (LADs in the human genome, and suggested that the insulator protein CTCF may help to demarcate these domains. Here, we report the detailed structure of LADs in Drosophila cells, and investigate the putative roles of five insulator proteins in LAD organization. We found that the Drosophila genome is also organized in discrete LADs, which are about five times smaller than human LADs but contain on average a similar number of genes. Systematic comparison to new and published insulator binding maps shows that only SU(HW binds preferentially at LAD borders and at specific positions inside LADs, while GAF, CTCF, BEAF-32 and DWG are mostly absent from these regions. By knockdown and overexpression studies we demonstrate that SU(HW weakens genome - NL interactions through a local antagonistic effect, but we did not obtain evidence that it is essential for border formation. Our results provide insights into the evolution of LAD organization and identify SU(HW as a fine-tuner of genome - NL interactions.

  18. From Rare to Dominant: a Fine-Tuned Soil Bacterial Bloom during Petroleum Hydrocarbon Bioremediation.

    Science.gov (United States)

    Fuentes, Sebastián; Barra, Bárbara; Caporaso, J Gregory; Seeger, Michael

    2016-02-01

    Hydrocarbons are worldwide-distributed pollutants that disturb various ecosystems. The aim of this study was to characterize the short-lapse dynamics of soil microbial communities in response to hydrocarbon pollution and different bioremediation treatments. Replicate diesel-spiked soil microcosms were inoculated with either a defined bacterial consortium or a hydrocarbonoclastic bacterial enrichment and incubated for 12 weeks. The microbial community dynamics was followed weekly in microcosms using Illumina 16S rRNA gene sequencing. Both the bacterial consortium and enrichment enhanced hydrocarbon degradation in diesel-polluted soils. A pronounced and rapid bloom of a native gammaproteobacterium was observed in all diesel-polluted soils. A unique operational taxonomic unit (OTU) related to the Alkanindiges genus represented ∼ 0.1% of the sequences in the original community but surprisingly reached >60% after 6 weeks. Despite this Alkanindiges-related bloom, inoculated strains were maintained in the community and may explain the differences in hydrocarbon degradation. This study shows the detailed dynamics of a soil bacterial bloom in response to hydrocarbon pollution, resembling microbial blooms observed in marine environments. Rare community members presumably act as a reservoir of ecological functions in high-diversity environments, such as soils. This rare-to-dominant bacterial shift illustrates the potential role of a rare biosphere facing drastic environmental disturbances. Additionally, it supports the concept of "conditionally rare taxa," in which rareness is a temporary state conditioned by environmental constraints. Copyright © 2016, American Society for Microbiology. All Rights Reserved.

  19. Fine-tuning Central Banks Web Communications: Usability Tests & Content Management

    OpenAIRE

    Christian A. Bolu; Rajiv Sharma; Rishi Malik

    2012-01-01

    Business processes especially in the Central Banks are more fully integrated and streamlined than ever before. Also, realistic system landscapes often consist of many systems. Disconnected silos of unstructured information continue to pile up for each organizational function and different interfaces are often implemented using the technology that is considered to be ideal for the respective interface. There appears to be lack of Enterprise Content Management strategy thus leading to significa...

  20. Fine-tuned modulation of competitive behaviour according to kinship in barn swallow nestlings

    NARCIS (Netherlands)

    Boncoraglio, Giuseppe; Caprioli, Manuela; Saino, Nicola

    2009-01-01

    Kin selection theory predicts that, in species where progeny members compete for limiting parental care, individual offspring should be more prone to monopolize parental resources as their genetic relatedness to brood competitors decreases. Mixed parentage among broodmates may arise as a

  1. A fine-tuned Metal-Organic Framework for Autonomous Indoor Moisture Control .

    KAUST Repository

    Abdul Halim, Racha Ghassan

    2017-06-29

    Conventional adsorbents, namely zeolites and silica gel, are often used to control humidity by adsorbing water; however, adsorbents capable of dual functionality of humidification and dehumidification, offering the desired control of the moisture level at room temperature, has yet to be explored. Here we report Y-shp-MOF-5, a hybrid microporous highly-connected Rare-Earth based metal-organic framework (MOF), with dual functionality for moisture control within the recommended range of relative humidity (45% to 65% RH) set by the American Society of Heating, Refrigerating, and Air-Conditioning Engineers (ASHRAE). Y-shp-MOF-5 exhibits exceptional structural integrity, robustness and unique humidity-control performance as confirmed by the large number (thousand) of conducted water vapor adsorption-desorption cycles. The retained structural integrity and the mechanism of water sorption were corroborated using in situ single crystal X-ray diffraction (SCXRD) studies. The resultant working water uptake of 0.45 g.g-1 is solely regulated by a simple adjustment of the relative humidity, positioning this hydrolytically stable MOF as a prospective adsorbent for humidity control in confined spaces such as space shuttles, aircraft cabins and air-conditioned buildings.

  2. Fine-Tuning of Saponification-Triggered Gelation by Strategic Modification of Peripheral Substituents: Gelation Regulators.

    Science.gov (United States)

    Kumar, Ashish; Singh, Roop Shikha; Kumar, Amit; Ali, Afsar; Biswas, Arnab; Pandey, Daya Shankar

    2016-09-19

    A pioneering approach towards controlling the efficiency of saponification assisted gelation in ethyl ester based Zn II -complexes have been described. Using four new ester containing bis-salen Zn II complexes (C1-C4) involving different para-azo phenyl substituted ligands it has been clearly shown that gelation efficiency is greatly influenced by the electronic effects of the substituents (-H (C1), -CH 3 (C2), -NO 2 (C3), and -OCH 3 (C4)). Morphological, photophysical, and rheological investigations corroborated the experimental observations well and established that gelation efficiency was enhanced with electron-withdrawing characteristics of substituents (C4

  3. Fine Tuning the CJ Detonation Speed of a High Explosive products Equation of State

    Energy Technology Data Exchange (ETDEWEB)

    Menikoff, Ralph [Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

    2017-05-12

    For high explosive (HE) simulations, inaccuracies of a per cent or two in the detonation wave speed can result from not suficiently resolving the reaction zone width or from small inaccuracies in calibrating the products equation of state (EOS) or from variation of HE lots. More accurate detonation speeds can be obtained by ne tuning the equation of state to compensate. Here we show that two simple EOS transformations can be used to adjust the CJ detonation speed by a couple of per cent with minimal effect on the CJ release isentrope. The two transformations are (1) a shift in the energy origin and (2) a linear scaling of the speci c volume. The effectiveness of the transformations is demonstrated with simulations of the cylinder test for PBX 9502 starting with a products EOS for which the CJ detonation speed is 1 per cent too low.

  4. Platinum Interference with siRNA Non-seed Regions Fine-Tunes Silencing Capacity

    DEFF Research Database (Denmark)

    Hedman, Hanna K; Kirpekar, Finn; Elmroth, Sofi K C

    2011-01-01

    expression, and the other one focused on the function of endogenous miRNAs. In both cases, the active molecule consists of a ∼20-nucleotide-long RNA duplex. In the siRNA case, improved systemic stability is of central interest for its further development toward clinical applications. With respect to mi......RNA processing and function, understanding its influence on mRNA targeting and the silencing ability of individual miRNAs, e.g., under pathological conditions, remains a scientific challenge. In the present study, a model system is presented where the influence of the two clinically used anticancer drugs......, cisplatin and oxaliplatin, on siRNA's silencing capacity has been evaluated. More specifically, siRNAs targeting the 3' UTR region of Wnt-5a mRNA (NM_003352) were constructed, and the biologically active antisense RNA strand was pre-platinated. Platinum adducts were detected and characterized...

  5. The practical engineer-fine-tuning memory macros using variable internal delays

    CERN Document Server

    Gray, K

    1999-01-01

    Embedded memory blocks are extremely common in application-specific IC (ASIC) chips. In this era of design reuse, it is critical that these memory macros, as they are also called, should be as versatile as possible. Their $9 performance should be optimal, with adequate sense amplifier signal over the full manufacturing process range of the chip. Fortunately, several simple techniques exist for adapting memory macros to different applications running at $9 different speeds. The key is to design in delays that are variable and/or programmable. The approach is also helpful in debugging initial hardware where a memory macro is refusing to function because its timing is too fast and there $9 is insufficient internal delay for proper circuit operation. The techniques can also eliminate the process of redesigning and refabricating the initial hardware just to characterize it. A memory macro is made to function by internal $9 pulses, generated in the correct number, sequence and relationship by the internal timing ch...

  6. Fine-tuning our senses with (sound) art for aesthetic experience

    OpenAIRE

    Fonseca, Nuno

    2017-01-01

    UID/EAT/00693/2013 UID/EAT/00472/2013 After a long and widespread overlapping, in traditional accounts of aesthetic experience, between the realms of the artistic and the aesthetic, it’s becoming increasingly consensual that not only artworks, but also non-artistic objects - natural phenomena, natural landscapes and human environments, perhaps even everyday activities - can be the focus of valuable, arousing, cognitively and emotionally engaging sensory experiences. Not merely do I advo...

  7. Transposable elements re-wire and fine-tune the transcriptome.

    Directory of Open Access Journals (Sweden)

    Michael Cowley

    Full Text Available What good are transposable elements (TEs? Although their activity can be harmful to host genomes and can cause disease, they nevertheless represent an important source of genetic variation that has helped shape genomes. In this review, we examine the impact of TEs, collectively referred to as the mobilome, on the transcriptome. We explore how TEs-particularly retrotransposons-contribute to transcript diversity and consider their potential significance as a source of small RNAs that regulate host gene transcription. We also discuss a critical role for the mobilome in engineering transcriptional networks, permitting coordinated gene expression, and facilitating the evolution of novel physiological processes.

  8. Transposable elements re-wire and fine-tune the transcriptome.

    Science.gov (United States)

    Cowley, Michael; Oakey, Rebecca J

    2013-01-01

    What good are transposable elements (TEs)? Although their activity can be harmful to host genomes and can cause disease, they nevertheless represent an important source of genetic variation that has helped shape genomes. In this review, we examine the impact of TEs, collectively referred to as the mobilome, on the transcriptome. We explore how TEs-particularly retrotransposons-contribute to transcript diversity and consider their potential significance as a source of small RNAs that regulate host gene transcription. We also discuss a critical role for the mobilome in engineering transcriptional networks, permitting coordinated gene expression, and facilitating the evolution of novel physiological processes.

  9. Fine tuning of transmission features in nanoporous anodic alumina distributed Bragg reflectors

    Science.gov (United States)

    Lim, Siew Yee; Law, Cheryl Suwen; Santos, Abel

    2018-01-01

    This study introduces an innovative apodisation strategy to tune the filtering features of distributed Bragg reflectors based on nanoporous anodic alumina (NAA-DBRs). The effective medium of NAA-DBRs, which is modulated in a stepwise fashion by a pulse-like anodisation approach, is apodised following a logarithmic negative function to engineer the transmission features of NAA-DBRs. We investigate the effect of various apodisation parameters such as apodisation amplitude difference, anodisation period, current density offset and pore widening time, to tune and optimise the optical properties of NAA-DBRs in terms of central wavelength position, full width at half maximum and quality of photonic stop band. The transmission features of NAA-DBRs are shown to be fully controllable with precision across the spectral regions by means of the apodisation parameters. Our study demonstrates that an apodisation strategy can significantly narrow the width and enhance the quality of the characteristic photonic stop band of NAA-DBRs. This rationally designed anodisation approach based on the combination of apodisation and stepwise pulse anodisation enables the development of optical filters with tuneable filtering features to be integrated into optical technologies acting as essential photonic elements in devices such as optical sensors and biosensors.

  10. Fine-tuning of protein domain boundary by minimizing potential coiled coil regions

    International Nuclear Information System (INIS)

    Iwaya, Naoko; Goda, Natsuko; Unzai, Satoru; Fujiwara, Kenichiro; Tanaka, Toshiki; Tomii, Kentaro; Tochio, Hidehito; Shirakawa, Masahiro; Hiroaki, Hidekazu

    2007-01-01

    Structural determination of individual protein domains isolated from multidomain proteins is a common approach in the post-genomic era. Novel and thus uncharacterized domains liberated from intact proteins often self-associate due to incorrectly defined domain boundaries. Self-association results in missing signals, poor signal dispersion and a low signal-to-noise ratio in 1 H- 15 N HSQC spectra. We have found that a putative, non-canonical coiled coil region close to a domain boundary can cause transient hydrophobic self-association and monomer-dimer equilibrium in solution. Here we propose a rational method to predict putative coiled coil regions adjacent to the globular core domain using the program COILS. Except for the amino acid sequence, no preexisting knowledge concerning the domain is required. A small number of mutant proteins with a minimized coiled coil region have been rationally designed and tested. The engineered domains exhibit decreased self-association as assessed by 1 H- 15 N HSQC spectra with improved peak dispersion and sharper cross peaks. Two successful examples of isolating novel N-terminal domains from AAA-ATPases are demonstrated. Our method is useful for the experimental determination of domain boundaries suited for structural genomics studies

  11. Fine-tuning of protein domain boundary by minimizing potential coiled coil regions.

    Science.gov (United States)

    Iwaya, Naoko; Goda, Natsuko; Unzai, Satoru; Fujiwara, Kenichiro; Tanaka, Toshiki; Tomii, Kentaro; Tochio, Hidehito; Shirakawa, Masahiro; Hiroaki, Hidekazu

    2007-01-01

    Structural determination of individual protein domains isolated from multidomain proteins is a common approach in the post-genomic era. Novel and thus uncharacterized domains liberated from intact proteins often self-associate due to incorrectly defined domain boundaries. Self-association results in missing signals, poor signal dispersion and a low signal-to-noise ratio in (1)H-(15)N HSQC spectra. We have found that a putative, non-canonical coiled coil region close to a domain boundary can cause transient hydrophobic self-association and monomer-dimer equilibrium in solution. Here we propose a rational method to predict putative coiled coil regions adjacent to the globular core domain using the program COILS. Except for the amino acid sequence, no preexisting knowledge concerning the domain is required. A small number of mutant proteins with a minimized coiled coil region have been rationally designed and tested. The engineered domains exhibit decreased self-association as assessed by (1)H-(15)N HSQC spectra with improved peak dispersion and sharper cross peaks. Two successful examples of isolating novel N-terminal domains from AAA-ATPases are demonstrated. Our method is useful for the experimental determination of domain boundaries suited for structural genomics studies.

  12. Local temperature fine-tunes the timing of spring migration in birds

    DEFF Research Database (Denmark)

    Tøttrup, Anders P.; Rainio, Kalle; Coppack, Timothy

    2010-01-01

    and predict consequences of climatic change for migratory birds. In order to better understand migration phenology and adaptation in environmental changes, we here assess the scale at which weather affects timing of spring migration in passerine birds. We use three commonly used proxies of spring......-time climatic conditions: (1) vegetation "greenness" (NDVI) in Europe, (2) local spring temperatures in northern Europe, and (3) the North Atlantic Oscillation Index (NAO) as predictors of the phenology of avian migration as well as the strength of their effect on different subsets of populations...... breeding area. Local temperature was the best single predictor of phenology with the highest explanatory power achieved in combination with NAO. Furthermore, early individuals are more affected by climatic variation compared to individuals on later passage, indicating that climatic change affects subsets...

  13. Reed Warbler Hosts Fine-Tune their Defenses to Track Three Decades of Cuckoo Decline

    Science.gov (United States)

    Thorogood, Rose; Davies, Nicholas B

    2013-01-01

    Interactions between avian hosts and brood parasites can provide a model for how animals adapt to a changing world. Reed warbler (Acrocephalus scirpaceus) hosts employ costly defenses to combat parasitism by common cuckoos (Cuculus canorus). During the past three decades cuckoos have declined markedly across England, reducing parasitism at our study site (Wicken Fen) from 24% of reed warbler nests in 1985 to 1% in 2012. Here we show with experiments that host mobbing and egg rejection defenses have tracked this decline in local parasitism risk: the proportion of reed warbler pairs mobbing adult cuckoos (assessed by responses to cuckoo mounts and models) has declined from 90% to 38%, and the proportion rejecting nonmimetic cuckoo eggs (assessed by responses to model eggs) has declined from 61% to 11%. This is despite no change in response to other nest enemies or mimetic model eggs. Individual variation in both defenses is predicted by parasitism risk during the host’s egg-laying period. Furthermore, the response of our study population to temporal variation in parasitism risk can also explain spatial variation in egg rejection behavior in other populations across Europe. We suggest that spatial and temporal variation in parasitism risk has led to the evolution of plasticity in reed warbler defenses. PMID:24299407

  14. The etiologic role of HPV in vulvar squamous cell carcinoma fine tuned.

    NARCIS (Netherlands)

    Nieuwenhof, H.P. van de; Kempen, L.C.L.T. van; Hullu, J.A. de; Bekkers, R.L.M.; Bulten, J.; Melchers, W.J.G.; Massuger, L.F.A.G.

    2009-01-01

    PURPOSE: High-risk human papilloma virus (HPV) plays a role in the development of a subset of vulvar squamous cell carcinomas. Uncertainty exists about the true impact of HPV in this tumor type because conflicting reports have been published with diverging prevalence rates. This study was done to

  15. Drug companies monitor prescriptions and sales to fine-tune their marketing strategies.

    Science.gov (United States)

    2010-06-01

    Market research companies analyse drug prescriptions and sales in community and hospital pharmacies, thus enabling drug companies to refine their marketing strategies. Some information of interest to drug companies is provided directly by healthcare professionals, sometimes unwittingly, and sometimes in return for small "favours".

  16. Opportunities to improve the conversion of food waste to lactate: Fine-tuning secondary factors.

    Science.gov (United States)

    RedCorn, Raymond; Engelberth, Abigail S

    2017-11-01

    Extensive research has demonstrated the potential for bioconversion of food waste to lactate, with major emphasis on adjusting temperature, pH, and loading rate of the fermentation. Each of these factors has a significant effect on lactate production; however, additional secondary factors have received little attention. Here we investigate three additional factors where opportunities exist for process improvement: freezing of samples during storage, discontinuous pH control, and holdover of fermentation broth between fermentations. Freezing samples prior to fermentation was shown to reduce the production rate of lactate by 8%, indicating freeze-thaw should be avoided in experiments. Prior work indicated a trade-off in pH control strategies, where discontinuous pH control correlated with higher lactate accumulation while continuous pH control correlated with higher production rate. Here we demonstrate that continuous pH control can achieve both higher lactate accumulation and higher production rate. Finally, holding over fermentation broth was shown to be a simple method to improve production rate (by 18%) at high food waste loading rates (>140 g volatile solids L -1 ) but resulted in lower lactate accumulation (by 17%). The results inform continued process improvements within the waste treatment of food waste through fermentation to lactic acid.

  17. Fine tuning of optical transition energy of twisted bilayer graphene via interlayer distance modulation

    Czech Academy of Sciences Publication Activity Database

    del Corro, Elena; Peňa-Álvarez, Miriam; Sato, K.; Morales-García, A.; Bouša, Milan; Mračko, Michal; Kolman, Radek; Pacáková, Barbara; Kavan, Ladislav; Kalbáč, Martin; Frank, Otakar

    2017-01-01

    Roč. 95, č. 8 (2017), č. článku 085138. ISSN 2469-9950 R&D Projects: GA ČR GA14-15357S; GA MŠk LL1301; GA ČR GA16-03823S Institutional support: RVO:61388955 ; RVO:61388998 ; RVO:68378271 Keywords : twisted bilayer graphene * tuning * silicon Subject RIV: BM - Solid Matter Physics ; Magnetism OBOR OECD: Condensed matter physics (including formerly solid state physics, supercond.) Impact factor: 3.836, year: 2016

  18. Fine-tuning the physicochemical properties of peptide-based blood-brain barrier shuttles.

    Science.gov (United States)

    Ghasemy, Somaye; García-Pindado, Júlia; Aboutalebi, Fatemeh; Dormiani, Kianoush; Teixidó, Meritxell; Malakoutikhah, Morteza

    2018-05-01

    N-methylation is a powerful method to modify the physicochemical properties of peptides. We previously found that a fully N-methylated tetrapeptide, Ac-(N-MePhe) 4 -CONH 2 , was more lipophilic than its non-methylated analog Ac-(Phe) 4 -CONH 2 . In addition, the former crossed artificial and cell membranes while the latter did not. Here we sought to optimize the physicochemical properties of peptides and address how the number and position of N-methylated amino acids affect these properties. To this end, 15 analogs of Ac-(Phe) 4 -CONH 2 were designed and synthesized in solid-phase. The solubility of the peptides in water and their lipophilicity, as measured by ultra performance liquid chromatography (UPLC) retention times, were determined. To study the permeability of the peptides, the Parallel Artificial Membrane Permeability Assay (PAMPA) was used as an in vitro model of the blood-brain barrier (BBB). Contrary to the parent peptide, the 15 analogs crossed the artificial membrane, thereby showing that N-methylation improved permeability. We also found that N-methylation enhanced lipophilicity but decreased the water solubility of peptides. Our results showed that both the number and position of N-methylated residues are important factors governing the physicochemical properties of peptides. There was no correlation between the number of N-methylated amide bonds and any of the properties measured. However, for the peptides consecutively N-methylated from the N-terminus to the C-terminus (p1, p5, p11, p12 and p16), lipophilicity correlated well with the number of N-methylated amide bonds and the permeability of the peptides. Moreover, the peptides were non-toxic to HEK293T cells, as determined by the 3-(4,5-dimethylthiazol-2-yl)-5-(3-carboxymethoxyphenyl)-2-(4-sulfophenyl)-2H-tetrazolium (MTS) assay. Copyright © 2018 Elsevier Ltd. All rights reserved.

  19. Quantum Big Bang without fine-tuning in a toy-model

    Czech Academy of Sciences Publication Activity Database

    Znojil, Miloslav

    2012-01-01

    Roč. 343, 012136 (2012), s. 1-20 ISSN 1742-6588. [7th International Conference on Quantum Theory and Symmetries (QTS7). Praha, 07.08.2011-13.08.2011] R&D Projects: GA MŠk LC06002; GA ČR GAP203/11/1433 Institutional support: RVO:61389005 Keywords : PT-symmetry * Covariant theory * gravity Subject RIV: BE - Theoretical Physics

  20. Tapering Options and Emittance Fine Tuning for the FCC-ee Collider

    OpenAIRE

    Härer, Bastian; Doblhammer, Andreas; Holzer, Bernhard

    2016-01-01

    The lepton collider version of the FCC study describes a future electron-positron collider with a circumference in the order of 100 km, optimised for operation with collision energies in the range of 90 GeV to 350 GeV (FCC- ee). This paper presents the layout of the machine and the constraints on the design of the arc lattice in the context of the four different beam energies that are foreseen for beam operation. Special emphasis is put on the compensation of the effect of the strong synchrot...

  1. Fine-tuning Hematopoiesis: Microenvironmental factors regulating self-renewal and differentiation of hematopoietic stem cells

    NARCIS (Netherlands)

    T.C. Luis (Tiago)

    2010-01-01

    markdownabstract__Abstract__ Hematopoietic stem cells (HSCs) have the ability to self renew and generate all lineages of blood cells. Although it is currently well established that hematopoietic stem cells (HSCs) regenerate the blood compartment, it was only in the 1960s that was introduced the

  2. Fine tuning of size and morphology of magnetite nanoparticles synthesized by microemulsion

    Science.gov (United States)

    Singh, Pinki; Upadhyay, Chandan

    2018-05-01

    The synthesis parameters crucially affect the physical and chemical parameters of nanoparticles. Magnetite (Fe3O4) nanoparticles were synthesized using microemulsion method. This method does not require high temperature synthesis, nitrogen environment and/or pH regulation during synthesis process. We are presenting here a systematic study on role of different associated parameters of microemulsion synthesis method on the formation of Fe3O4 nanoparticles. From X-ray Diffraction and Transmission Electron Micoscopy data analysis the size of synthesized particles were observed to be <10 nm. The critical concentration of ferrous-ferric solution to obtain particles in single phase has been found to be ≤0.09 M and ≤0.184 M, respectively. The variation of molar concentration (0.01 M ≤x≤ 0.1 M) of CTAB leads to formation of Fe3O4 nano-scale particles of distinct morphologies e.g. nano-cubes, pentagons and spheres. The number of ferrous and ferric ions involved in the formation decides the size of the nanoparticles. The single crystallographic phase is obtained in reaction temperature range of 65° C

  3. Fine-Tuning of Photosynthesis Requires CURVATURE THYLAKOID1-Mediated Thylakoid Plasticity

    DEFF Research Database (Denmark)

    Pribil, Mathias; Sandoval Ibáñez, Omar Alejandro; Xu, Wenteng

    2018-01-01

    ultrastructure in Arabidopsis (Arabidopsis thaliana) reduces photosynthetic efficiency and plant fitness under adverse, controlled, and natural light conditions. Plants that lack CURT1 show less adjustment of grana diameter, which compromises regulatory mechanisms like the photosystem II repair cycle and state...... transitions. Interestingly, CURT1A suffices to induce thylakoid membrane curvature in planta and thylakoid hyperbending in plants overexpressing CURT1A. We suggest that CURT1 oligomerization is regulated at the posttranslational level in a light-dependent fashion and that CURT1-mediated thylakoid plasticity...

  4. UTP-induced ATP release is a fine-tuned signalling pathway in osteocytes

    DEFF Research Database (Denmark)

    Kringelbach, Tina M.; Aslan, Derya; Novak, Ivana

    2014-01-01

    Osteocytes reside as a cellular network throughout the mineralised matrix of bone and are considered the primary mechanosensors of this tissue. They sense mechanical stimulation such as fluid flow and are able to regulate osteoblast and osteoclast functions on the bone surface. Previously, we fou...... signals may be propagated by P2 receptor activation and further ATP release in the osteocyte network and implicate purinergic signalling as a central signalling pathway in osteocyte mechanotransduction....

  5. Simulation and design method in advanced nanomaterials fine-tuning for some perovskites type AHE study

    International Nuclear Information System (INIS)

    Mohorianu, S.; Lozovan, M.; Rusu, F.-V.

    2009-01-01

    Nanostructured materials with tailored properties are now essential for future applications in the current industrial manufacturing. Extracting valuable information from data by using the distributed computer processing and storage technologies, as well the Artificial Neural Network (ANN) and the development of advanced algorithms for knowledge discovery are the purpose of our work. We describe how a Simulation and Design Method (SDM) attempt, based on our last results, is applied on two perovskites type materials, La 0.7 Ca 0.3 MnO 3 and La 0.7 Sr 0.3 MnO 3 in order to study the Anomalous Hall Effect (AHE). Our new ANN model, is intended to contribute to the effort to improve some properties of new materials. It implements and uses the basic building blocks of neural computation, such as multi-layer perceptrons. ANN can learn associative patterns and approximate the functional relationship between a set of input and output. Modeling and simulation techniques affect all stages in the development and improvement of new materials, from the initial formation of concepts to synthesis and characterization of properties. A new SDM with ANN for some nanomagnetic materials was given. Neural networks have been applied successfully in the identification and classification of some nanomagnetic characteristics from a large amount of data. (authors)

  6. Fine-tuning of the flavonoid and monolignol pathways during apple early fruit development.

    Science.gov (United States)

    Baldi, Paolo; Moser, Mirko; Brilli, Matteo; Vrhovsek, Urska; Pindo, Massimo; Si-Ammour, Azeddine

    2017-05-01

    A coordinated regulation of different branches of the flavonoid pathway was highlighted that may contribute to elucidate the role of this important class of compounds during the early stages of apple fruit development. Apple (Malus × domestica Borkh.) is an economically important fruit appreciated for its organoleptic characteristics and its benefits for human health. The first stages after fruit set represent a very important and still poorly characterized developmental process. To enable the profiling of genes involved in apple early fruit development, we combined the suppression subtractive hybridization (SSH) protocol to next-generation sequencing. We identified and characterized genes induced and repressed during fruit development in the apple cultivar 'Golden Delicious'. Our results showed an opposite regulation of genes coding for enzymes belonging to flavonoid and monolignol pathways, with a strong induction of the former and a simultaneous repression of the latter. Two isoforms of phenylalanine ammonia-lyase and 4-coumarate:CoA ligase, key enzymes located at the branching point between flavonoid and monolignol pathways, showed opposite expression patterns during the period in analysis, suggesting a possible regulation mechanism. A targeted metabolomic analysis supported the SSH results and revealed an accumulation of the monomers catechin and epicatechin as well as several forms of procyanidin oligomers in apple fruitlets starting early after anthesis, together with a decreased production of other classes of flavonoids such as some flavonols and the dihydrochalcone phlorizin. Moreover, gene expression and metabolites accumulation of 'Golden Delicious' were compared to a wild apple genotype of Manchurian crabapple (Malus mandshurica (Maxim.) Kom.). Significant differences in both gene expression and metabolites accumulation were found between the two genotypes.

  7. The Insulator Protein SU(HW) Fine-Tunes Nuclear Lamina Interactions of the Drosophila Genome

    NARCIS (Netherlands)

    Van Bemmel, J.G.; Pagie, L.; Braunschweig, U.; Brugman, W.; Meuleman, W.; Kerkhoven, R.M.; Van Steensel, B.

    2010-01-01

    Specific interactions of the genome with the nuclear lamina (NL) are thought to assist chromosome folding inside the nucleus and to contribute to the regulation of gene expression. High-resolution mapping has recently identified hundreds of large, sharply defined lamina-associated domains (LADs) in

  8. Fine tuning the teaching methods used for second year university mathematics

    Science.gov (United States)

    Lim, L. L.; Thiel, D. V.; Searles, Debra J.

    2012-01-01

    Second year mathematics is a compulsory course for all students enrolled in engineering and mathematics programmes at the university, and it is taken by approximately 120 students each year. The pass rate of the course had been below expectations in the past years. In order to improve the predicament, quizzes which provided a mark incentive were introduced in 2009 as a pilot study. The pass rate was improved compared to the previous year. Hence, quizzes were added to the course assessment in 2010. This article compares and reports the outcome to the 2009 and 2010 quizzes based on the students' feedback and results at the end of the course. From the data of the surveys, students welcomed the regular quizzes, although the pass rate still did not meet the expectation.

  9. Fine-tuning a Context-Aware system application by using User-Centred Design methods

    NARCIS (Netherlands)

    Jimenez Garcia, Juan; Boerema, Simone Theresa; Hermens, Hermanus J.; Havinga, Paul J.M.

    2010-01-01

    Context-Aware Systems in the home environment can provide an effective solution for supporting wellbeing and autonomy for the elderly. The definition and implementation of the system architecture for a particular assisted living healthcare application entail both technological and usability

  10. Fine tuning the ionic liquid-vacuum outer atomic surface using ion mixtures.

    Science.gov (United States)

    Villar-Garcia, Ignacio J; Fearn, Sarah; Ismail, Nur L; McIntosh, Alastair J S; Lovelock, Kevin R J

    2015-03-28

    Ionic liquid-vacuum outer atomic surfaces can be created that are remarkably different from the bulk composition. In this communication we demonstrate, using low-energy ion scattering (LEIS), that for ionic liquid mixtures the outer atomic surface shows significantly more atoms from anions with weaker cation-anion interactions (and vice versa).

  11. Glycan shield and fusion activation of a deltacoronavirus spike glycoprotein fine-tuned for enteric infections

    NARCIS (Netherlands)

    Xiong, Xiaoli; Tortorici, M Alejandra; Snijder, Joost|info:eu-repo/dai/nl/338018328; Yoshioka, Craig; Walls, Alexandra C; Li, Wentao|info:eu-repo/dai/nl/411296272; McGuire, Andrew T; Rey, Félix A; Bosch, Berend-Jan|info:eu-repo/dai/nl/273306049; Veesler, David

    2017-01-01

    Coronaviruses recently emerged as major human pathogens causing outbreaks of severe acute respiratory syndrome and Middle-East respiratory syndrome. They utilize the spike (S) glycoprotein anchored in the viral envelope to mediate host attachment and fusion of the viral and cellular membranes to

  12. Fine-tuning of mast cell activation by FceRIbeta chain

    Directory of Open Access Journals (Sweden)

    Chisei eRa

    2012-05-01

    Full Text Available Mast cells play the key role in allergic reaction and disorders, being activated by the high affinity receptor for IgE, FceRI. There are two types of FceRI expressed on the cell surface of human mast cells, abg2 type and ag2 type (without b chain, while in mouse mast cells only the tetrameric abg2 type is expressed. In the lesion of allergic inflammation such as atopic conjunctivitis and atopic dermatitis, mast cells increase in number and exclusively express the abg2 type FceRI, in contrast in healthy conjunctiva and skin most mast cells express the ag2 type. The human and mouse FceRI genes contain seven exons and in the human gene we found a repressor element locates in the forth intron. Through the repressor element HDACs are recruited to the FceRIb gene by MZF-1/FHL3/NFY complex and repress b transcription by deacetylation of histones in the presence of GM-CSF. It has been long recognized that the function of the b chain ITAM is a signal amplifier, but we have recently revealed bidirectional (positive and negative functions of the b chain ITAM in the regulation of the mast cell activation and effector functions. Namely, the b chain enhances the mast cell activation signal triggered with low intensity stimulation such as lower dose antigen than threshold while it suppresses the signal of high intensity stimulation. Employing mouse model of CHS induced by oxazolone, we have revealed that IgE-mediated mast cell activation is required for CHS and that the b chain is crucially involved in this model. On the other hand diverse immune receptors including TLRs, SCF receptor and GPCRs are known to mediate signals which modulate FceRI・adenosine receptors, one of GPCRs, trigger synergistic degranulation response in mast cells even when the FceRI stimulation is of ‘lower intensity’ than the threshold. We have recently elucidated, in this synergistic degranulation response, b chain ITAM plays positive role, possibly reflecting in vivo allergic response.

  13. Fine-tuning Cartilage Tissue Engineering by Applying Principles from Embryonic Development

    NARCIS (Netherlands)

    C.A. Hellingman (Catharine)

    2012-01-01

    textabstractCartilage has a very poor capacity for regeneration in vivo. In head and neck surgery cartilage defects are usually reconstructed with autologous cartilage from for instance the external ear or the ribs. Cartilage tissue engineering may be a promising alternative to supply tissue for

  14. Fine-tuning Cartilage Tissue Engineering by Applying Principles from Embryonic Development

    OpenAIRE

    Hellingman, Catharine

    2012-01-01

    textabstractCartilage has a very poor capacity for regeneration in vivo. In head and neck surgery cartilage defects are usually reconstructed with autologous cartilage from for instance the external ear or the ribs. Cartilage tissue engineering may be a promising alternative to supply tissue for cartilage reconstructions in otorhinolaryngology as well as in plastic surgery and orthopaedics. The aim of this thesis is to find new tools by which cartilage tissue engineering can be better control...

  15. Large Scale Molecular Simulation of Nanoparticle-Biomolecule Interactions and their Implications in Nanomedicine

    Science.gov (United States)

    Zhou, Ruhong

    Nanoscale particles have become promising materials in various biomedical applications, however, in order to stimulate and facilitate these applications, there is an urgent need for a better understanding of their biological effects and related molecular mechanism/physics as well. In this talk, I will discuss some of our recent works, mostly molecular modelling, on nanotoxicity and their implications in de novo design of nanomedicine. We show that carbon-based nanoparticles (carbon nanotubes, graphene nanosheets, and fullerenes) can interact and disrupt the structures and functions of many important proteins. The hydrophobic interactions between the carbon nanotubes and hydrophobic residues, particularly aromatic residues through the so-called π- π stacking interactions, are found to play key roles. Meanwhile, metallofullerenol Gd@C82(OH)22 is found to inhibit tumour growth and metastases with both experimental and theoretical approaches. Graphene and graphene oxide (GO) nanosheets show strong destructive interactions to E. coli cell membranes (antibacterial activity) and A β amyloid fibrils (anti-AD, Alzheimer's disease, capability) with unique molecular mechanisms, while on the other hand, they also show a strong supportive role in enzyme immobilisation such as lipases through lid opening. In particular, the lid opening is assisted by lipase's sophisticated interaction with GO, which allows the adsorbed lipase to enhance its enzyme activity. The lipase enzymatic activity can be further optimized through fine tuning of the GO surface hydrophobicity. These findings might provide a better understanding of ``nanotoxicity'' at the molecular level with implications in de novo nanomedicine design.

  16. Solar fuels generation and molecular systems: is it homogeneous or heterogeneous catalysis?

    Science.gov (United States)

    Artero, Vincent; Fontecave, Marc

    2013-03-21

    Catalysis is a key enabling technology for solar fuel generation. A number of catalytic systems, either molecular/homogeneous or solid/heterogeneous, have been developed during the last few decades for both the reductive and oxidative multi-electron reactions required for fuel production from water or CO(2) as renewable raw materials. While allowing for a fine tuning of the catalytic properties through ligand design, molecular approaches are frequently criticized because of the inherent fragility of the resulting catalysts, when exposed to extreme redox potentials. In a number of cases, it has been clearly established that the true catalytic species is heterogeneous in nature, arising from the transformation of the initial molecular species, which should rather be considered as a pre-catalyst. Whether such a situation is general or not is a matter of debate in the community. In this review, covering water oxidation and reduction catalysts, involving noble and non-noble metal ions, we limit our discussion to the cases in which this issue has been directly and properly addressed as well as those requiring more confirmation. The methodologies proposed for discriminating homogeneous and heterogeneous catalysis are inspired in part by those previously discussed by Finke in the case of homogeneous hydrogenation reaction in organometallic chemistry [J. A. Widegren and R. G. Finke, J. Mol. Catal. A, 2003, 198, 317-341].

  17. NAC Transcription Factors in Senescence: From Molecular Structure to Function in Crops

    Directory of Open Access Journals (Sweden)

    Dagmara Podzimska-Sroka

    2015-07-01

    Full Text Available Within the last decade, NAC transcription factors have been shown to play essential roles in senescence, which is the focus of this review. Transcriptome analyses associate approximately one third of Arabidopsis NAC genes and many crop NAC genes with senescence, thereby implicating NAC genes as important regulators of the senescence process. The consensus DNA binding site of the NAC domain is used to predict NAC target genes, and protein interaction sites can be predicted for the intrinsically disordered transcription regulatory domains of NAC proteins. The molecular characteristics of these domains determine the interactions in gene regulatory networks. Emerging local NAC-centered gene regulatory networks reveal complex molecular mechanisms of stress- and hormone-regulated senescence and basic physiological steps of the senescence process. For example, through molecular interactions involving the hormone abscisic acid, Arabidopsis NAP promotes chlorophyll degradation, a hallmark of senescence. Furthermore, studies of the functional rice ortholog, OsNAP, suggest that NAC genes can be targeted to obtain specific changes in lifespan control and nutrient remobilization in crop plants. This is also exemplified by the wheat NAM1 genes which promote senescence and increase grain zinc, iron, and protein content. Thus, NAC genes are promising targets for fine-tuning senescence for increased yield and quality.

  18. Molecular solar thermal energy storage in photoswitch oligomers increases energy densities and storage times.

    Science.gov (United States)

    Mansø, Mads; Petersen, Anne Ugleholdt; Wang, Zhihang; Erhart, Paul; Nielsen, Mogens Brøndsted; Moth-Poulsen, Kasper

    2018-05-16

    Molecular photoswitches can be used for solar thermal energy storage by photoisomerization into high-energy, meta-stable isomers; we present a molecular design strategy leading to photoswitches with high energy densities and long storage times. High measured energy densities of up to 559 kJ kg -1 (155 Wh kg -1 ), long storage lifetimes up to 48.5 days, and high quantum yields of conversion of up to 94% per subunit are demonstrated in norbornadiene/quadricyclane (NBD/QC) photo-/thermoswitch couples incorporated into dimeric and trimeric structures. By changing the linker unit between the NBD units, we can at the same time fine-tune light-harvesting and energy densities of the dimers and trimers so that they exceed those of their monomeric analogs. These new oligomers thereby meet several of the criteria to be met for an optimum molecule to ultimately enter actual devices being able to undergo closed cycles of solar light-harvesting, energy storage, and heat release.

  19. Exploiting Molecular Weight Distribution Shape to Tune Domain Spacing in Block Copolymer Thin Films.

    Science.gov (United States)

    Gentekos, Dillon T; Jia, Junteng; Tirado, Erika S; Barteau, Katherine P; Smilgies, Detlef-M; DiStasio, Robert A; Fors, Brett P

    2018-04-04

    We report a method for tuning the domain spacing ( D sp ) of self-assembled block copolymer thin films of poly(styrene- block-methyl methacrylate) (PS- b-PMMA) over a large range of lamellar periods. By modifying the molecular weight distribution (MWD) shape (including both the breadth and skew) of the PS block via temporal control of polymer chain initiation in anionic polymerization, we observe increases of up to 41% in D sp for polymers with the same overall molecular weight ( M n ≈ 125 kg mol -1 ) without significantly changing the overall morphology or chemical composition of the final material. In conjunction with our experimental efforts, we have utilized concepts from population statistics and least-squares analysis to develop a model for predicting D sp based on the first three moments of the MWDs. This statistical model reproduces experimental D sp values with high fidelity (with mean absolute errors of 1.2 nm or 1.8%) and provides novel physical insight into the individual and collective roles played by the MWD moments in determining this property of interest. This work demonstrates that both MWD breadth and skew have a profound influence over D sp , thereby providing an experimental and conceptual platform for exploiting MWD shape as a simple and modular handle for fine-tuning D sp in block copolymer thin films.

  20. A Self-Assembled Trigonal Prismatic Molecular Vessel for Catalytic Dehydration Reactions in Water.

    Science.gov (United States)

    Das, Paramita; Kumar, Atul; Howlader, Prodip; Mukherjee, Partha Sarathi

    2017-09-12

    A water-soluble Pd 6 trigonal prism (A) was synthesized by two-component coordination-driven self-assembly of a Pd II 90° acceptor with a tetraimidazole donor. The walls of the prism are constructed by three conjugated aromatic building blocks, which means that the confined pocket of the prism is hydrophobic. In addition to the hydrophobic cavity, large product egress windows make A an ideal molecular vessel to catalyze otherwise challenging pseudo-multicomponent dehydration reactions in its confined nanospace in aqueous medium. This study is an attempt at selective generation of the intermediate tetraketones and xanthenes by fine-tuning the reaction conditions employing a supramolecular molecular vessel. Moreover, either poor or no yield of the dehydrated products in the absence of A under similar reaction conditions supports the ability of the confined space of the barrel to promote such reactions in water. Furthermore, we focused on the rigidification of the tetraphenylethylene-based tetraimidazole unit anchored within the Pd II coordination architecture; enabling counter-anion dependent aggregation induced emission in the presence of water. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  1. Using molecular mechanics to predict bulk material properties of fibronectin fibers.

    Directory of Open Access Journals (Sweden)

    Mark J Bradshaw

    Full Text Available The structural proteins of the extracellular matrix (ECM form fibers with finely tuned mechanical properties matched to the time scales of cell traction forces. Several proteins such as fibronectin (Fn and fibrin undergo molecular conformational changes that extend the proteins and are believed to be a major contributor to the extensibility of bulk fibers. The dynamics of these conformational changes have been thoroughly explored since the advent of single molecule force spectroscopy and molecular dynamics simulations but remarkably, these data have not been rigorously applied to the understanding of the time dependent mechanics of bulk ECM fibers. Using measurements of protein density within fibers, we have examined the influence of dynamic molecular conformational changes and the intermolecular arrangement of Fn within fibers on the bulk mechanical properties of Fn fibers. Fibers were simulated as molecular strands with architectures that promote either equal or disparate molecular loading under conditions of constant extension rate. Measurements of protein concentration within micron scale fibers using deep ultraviolet transmission microscopy allowed the simulations to be scaled appropriately for comparison to in vitro measurements of fiber mechanics as well as providing estimates of fiber porosity and water content, suggesting Fn fibers are approximately 75% solute. Comparing the properties predicted by single molecule measurements to in vitro measurements of Fn fibers showed that domain unfolding is sufficient to predict the high extensibility and nonlinear stiffness of Fn fibers with surprising accuracy, with disparately loaded fibers providing the best fit to experiment. This work shows the promise of this microstructural modeling approach for understanding Fn fiber properties, which is generally applicable to other ECM fibers, and could be further expanded to tissue scale by incorporating these simulated fibers into three dimensional

  2. Environmental Molecular Sciences Laboratory Operations System: Version 4.0 - system requirements specification

    Energy Technology Data Exchange (ETDEWEB)

    Kashporenko, D.

    1996-07-01

    This document is intended to provide an operations standard for the Environmental Molecular Sciences Laboratory OPerations System (EMSL OPS). It is directed toward three primary audiences: (1) Environmental Molecular Sciences Laboratory (EMSL) facility and operations personnel; (2) laboratory line managers and staff; and (3) researchers, equipment operators, and laboratory users. It is also a statement of system requirements for software developers of EMSL OPS. The need for a finely tuned, superior research environment as provided by the US Department of Energy`s (DOE) Environmental Molecular Sciences Laboratory has never been greater. The abrupt end of the Cold War and the realignment of national priorities caused major US and competing overseas laboratories to reposition themselves in a highly competitive research marketplace. For a new laboratory such as the EMSL, this means coming into existence in a rapidly changing external environment. For any major laboratory, these changes create funding uncertainties and increasing global competition along with concomitant demands for higher standards of research product quality and innovation. While more laboratories are chasing fewer funding dollars, research ideas and proposals, especially for molecular-level research in the materials and biological sciences, are burgeoning. In such an economically constrained atmosphere, reduced costs, improved productivity, and strategic research project portfolio building become essential to establish and maintain any distinct competitive advantage. For EMSL, this environment and these demands require clear operational objectives, specific goals, and a well-crafted strategy. Specific goals will evolve and change with the evolution of the nature and definition of DOE`s environmental research needs. Hence, EMSL OPS is designed to facilitate migration of these changes with ease into every pertinent job function, creating a facile {open_quotes}learning organization.{close_quotes}

  3. Fine-tuning the nucleophilic reactivities of boron ate complexes derived from aryl and heteroaryl boronic esters.

    Science.gov (United States)

    Berionni, Guillaume; Leonov, Artem I; Mayer, Peter; Ofial, Armin R; Mayr, Herbert

    2015-02-23

    Boron ate complexes derived from thienyl and furyl boronic esters and aryllithium compounds have been isolated and characterized by X-ray crystallography. Products and mechanisms of their reactions with carbenium and iminium ions have been analyzed. Kinetics of these reactions were monitored by UV/Vis spectroscopy, and the influence of the aryl substituents, the diol ligands (pinacol, ethylene glycol, neopentyl glycol, catechol), and the counterions on the nucleophilic reactivity of the boron ate complexes were examined. A Hammett correlation confirmed the polar nature of their reactions with benzhydrylium ions, and the correlation lg k(20 °C)=sN (E+N) was employed to determine the nucleophilicities of the boron ate complexes and to compare them with those of other borates and boronates. The neopentyl and ethylene glycol derivatives were found to be 10(4) times more reactive than the pinacol and catechol derivatives. © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  4. SpoVT: From Fine-Tuning Regulator in Bacillus subtilis to Essential Sporulation Protein in Bacillus cereus.

    Science.gov (United States)

    Eijlander, Robyn T; Holsappel, Siger; de Jong, Anne; Ghosh, Abhinaba; Christie, Graham; Kuipers, Oscar P

    2016-01-01

    Sporulation is a highly sophisticated developmental process adopted by most Bacilli as a survival strategy to withstand extreme conditions that normally do not support microbial growth. A complicated regulatory cascade, divided into various stages and taking place in two different compartments of the cell, involves a number of primary and secondary regulator proteins that drive gene expression directed toward the formation and maturation of an endospore. Such regulator proteins are highly conserved among various spore formers. Despite this conservation, both regulatory and phenotypic differences are observed between different species of spore forming bacteria. In this study, we demonstrate that deletion of the regulatory sporulation protein SpoVT results in a severe sporulation defect in Bacillus cereus , whereas this is not observed in Bacillus subtilis . Although spores are initially formed, the process is stalled at a later stage in development, followed by lysis of the forespore and the mother cell. A transcriptomic investigation of B. cereus Δ spoVT shows upregulation of genes involved in germination, potentially leading to premature lysis of prespores formed. Additionally, extreme variation in the expression of species-specific genes of unknown function was observed. Introduction of the B. subtilis SpoVT protein could partly restore the sporulation defect in the B. cereus spoVT mutant strain. The difference in phenotype is thus more than likely explained by differences in promoter targets rather than differences in mode of action of the conserved SpoVT regulator protein. This study stresses that evolutionary variances in regulon members of sporulation regulators can have profound effects on the spore developmental process and that mere protein homology is not a foolproof predictor of similar phenotypes.

  5. Fine tuning of the catalytic activity of colicin E7 nuclease domain by systematic N-terminal mutations

    Czech Academy of Sciences Publication Activity Database

    Németh, E.; Körtvélyesi, T.; Thulstrup, P. W.; Christensen, H. E. M.; Kožíšek, Milan; Nagata, K.; Czene, A.; Gyurcsik, B.

    2014-01-01

    Roč. 23, č. 8 (2014), s. 1113-1122 ISSN 0961-8368 Grant - others:Seventh Framework Programme of the European Union(XE) FP7-312284; OPPC(CZ) CZ.2.16/3.1.00/24016 Institutional support: RVO:61388963 Keywords : DNA cleavage * flow linear dichroism * isothermal calorimetry * positively charged N-terminal residues * Zn2+ binding Subject RIV: CE - Biochemistry Impact factor: 2.854, year: 2014

  6. A novel mechanism for fine-tuning open-state stability in a voltage-gated potassium channel

    DEFF Research Database (Denmark)

    Pless, Stephan Alexander; Niciforovic, Ana P; Galpin, Jason D

    2013-01-01

    stabilization is the consequence of the amelioration of an inherently repulsive open-state interaction between the partial negative charge on the face of Phe481 and a highly co-evolved acidic side chain, Glu395, and this interaction is potentially modulated through the Tyr485 hydroxyl. We propose...... fluorinated derivatives of aromatic residues previously implicated in the gating of Shaker potassium channels. Here we show that stepwise dispersion of the negative electrostatic surface potential of only one site, Phe481, stabilizes the channel open state. Furthermore, these data suggest that this apparent...

  7. Reflection seismic imaging of the upper crystalline crust for characterization of potential repository sites: Fine tuning the seismic source

    Energy Technology Data Exchange (ETDEWEB)

    Juhlin, C.; Palm, H.; Bergman, B. [Uppsala Univ. (Sweden). Dept. of Earth Sciences

    2001-09-01

    SKB is currently carrying out studies to determine which seismic techniques, and how, they will be used for investigations prior to and during the building of a high-level nuclear waste repository. Active seismic methods included in these studies are refraction seismics, reflection seismics, and vertical seismic profiling (VSP). The main goal of the active seismic methods is to locate fracture zones in the crystalline bedrock. Plans are to use longer reflection seismic profiles (3.4 km) in the initial stages of the site investigations. The target depth for these seismic profiles is 100-1500 m. Prior to carrying out the seismic surveys over actual candidate waste repository sites it has been necessary to carry out a number of tests to determine the optimum acquisition parameters. This report constitutes a summary of the tests carried out by Uppsala University. In addition, recommended acquisition and processing parameters are presented at the end of the report. A major goal in the testing has been to develop a methodology for acquiring high-resolution reflection seismic data over crystalline rock in as a cost effective manner as possible. Since the seismic source is generally a major cost in any survey, significant attention has been given to reducing the cost of the source. It was agreed upon early in the study that explosives were the best source from a data quality perspective and, therefore, only explosive source methods have been considered in this study. The charge size and shot hole dimension required to image the upper 1-1.5 km of bedrock is dependent upon the conditions at the surface. In this study two types of shot hole drilling methods have been employed depending upon whether the thickness of the loose sediments at the surface is greater or less than 0.5 m. The charge sizes and shot hole dimensions required are: Loose sediment thickness less than 0.5 m: 15 g in 90 cm deep 12 mm wide uncased shot holes. Loose sediment thickness greater than 0.5 m: 75 g in 150 cm deep 20 mm wide shot hole that are cased to 16 mm. Both these shot holes can be drilled with handheld equipment making drilling possible even in difficult terrain with minimal damage to the environment. We refer to the combination of using small charge sizes and shot hole dimensions as the 'slim hole method'. Geophones are preferably planted in 8 mm holes drilled in bedrock. If no bedrock is present it is better to plant the geophones at locations with thick soil cover rather than in soil cover that is only 20-40 cm thick. If the cover is only this thick then it should be mechanically removed. One of the most important factors in producing high quality images is that the data are acquired with a high fold. High fold implies that the data are stacked together numerous times in order to increase the signal to noise ratio. Shot points should be located at every station to suppress the source generated noise. Shooting several times at the same station does not reduce source generated noise.

  8. Fine-tuning of electromembrane extraction selectivity using 18-crown-6 ethers as supported liquid membrane modifiers

    Czech Academy of Sciences Publication Activity Database

    Šlampová, Andrea; Kubáň, Pavel; Boček, Petr

    2014-01-01

    Roč. 35, č. 23 (2014), s. 3317-3320 ISSN 0173-0835 R&D Projects: GA ČR(CZ) GA13-05762S Institutional support: RVO:68081715 Keywords : 18-Crown-6 ethers * electromembrane extraction * inorganic cations * selectivity modification Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 3.028, year: 2014

  9. Alternative Splicing of the Pituitary Adenylate Cyclase-Activating Polypeptide Receptor PAC1: Mechanisms of Fine Tuning of Brain Activity

    Directory of Open Access Journals (Sweden)

    Janna eBlechman

    2013-05-01

    Full Text Available Alternative splicing of the precursor mRNA encoding for the neuropeptide receptor PAC1/ADCYAP1R1 generates multiple protein products that exhibit pleiotropic activities. Recent studies in mammals and zebrafish have implicated some of these splice isoforms in control of both cellular and body homeostasis. Here, we review the regulation of PAC1 splice variants and their underlying signal transduction and physiological processes in the nervous system.

  10. From disorganized capitalism to transnational fine tuning? Recent trends in wage development, industrial relations, and 'work' as a sociological category.

    Science.gov (United States)

    Hasse, Raimund; Leiulfsrud, Håkon

    2002-03-01

    The disorganization thesis concentrates upon globalization and market dynamics, which are believed to trigger the breakdown of any kind of institutional structures. The diversity of capitalism approach, by contrast, places much emphasis on the persistence of distinct paths of national economies. Referring to comparative data from the OECD and other sources it is shown that some variables indicate a robustness of national styles of capitalism. Others hint at resemblance: e.g. there is a striking synchronization of the overall and sectoral wage development, there is a significant decrease in industrial disputes, and the class composition tends to become more similar. A move beyond the disorganization thesis and diversity of capitalism approach is suggested. Special attention should be paid to the profound impacts of transnational institutions and knowledge carriers in the form of experts and guidelines.

  11. A fine-tuned fluorinated MOF addresses the needs for trace CO2 removal and air capture using physisorption.

    KAUST Repository

    Bhatt, Prashant; Belmabkhout, Youssef; Cadiau, Amandine; Adil, Karim; Shekhah, Osama; Shkurenko, Aleksander; Barbour, Leonard J.; Eddaoudi, Mohamed

    2016-01-01

    The development of functional solid-state materials for carbon capture at low carbon dioxide (CO2) concentrations, from con-fined spaces (<0.5 %) and particularly from air (400 ppm), is of prime importance with respect to energy and environment sustainability. Herein, we report the deliberate construction of a hydrolytically stable fluorinated metal-organic framework (MOF), NbOFFIVE-1-Ni, with the proper pore system (size, shape and functionality), ideal for efficient and effective traces carbon dioxide removal. Markedly, the CO2-selective NbOFFIVE-1-Ni exhibits the highest CO2 gravimetric and volumetric uptake (ca. 1.3 mmol/g and 51.4 cm3.cm-3) for physical adsorbents at 400 ppm CO2 and 298 K. Practically, the NbOFFIVE-1-Ni affords the complete CO2 desorption at 328 K under vacuum with an associated moderate energy input of 54 kJ/mol, typical for the full CO2 desorption in reference physical adsorbents but considerably lower than the conventional chemical sorbents. Noticeably, the contracted square-like channels, affording the close proximity of the fluorine centers, permitted the enhancement of the CO2-framework interactions and subsequently the attainment of an unprecedented CO2-selectivity at very low CO2 concentrations. The precise localization of the adsorbed CO2 at the vicinity of the periodically aligned fluorine centers, promoting the selective adsorption of CO2, is evidenced by the single-crystal X-ray diffraction study on the NbOFFIVE-1-Ni hosting CO2 molecules. Cyclic CO2/N2 mixed-gas column breakthrough experiments under dry and humid conditions corroborate the excellent CO2-selectivity under practical carbon capture conditions. Pertinently, the no-table hydrolytic stability positions the NbOFFIVE-1-Ni as the new benchmark adsorbent for direct air capture and CO2 removal from confined spaces.

  12. “Fifty Shades” of Black and Red or How Carboxyl Groups Fine Tune Eumelanin and Pheomelanin Properties

    Directory of Open Access Journals (Sweden)

    Raffaella Micillo

    2016-05-01

    Full Text Available Recent advances in the chemistry of melanins have begun to disclose a number of important structure-property-function relationships of crucial relevance to the biological role of human pigments, including skin (photo protection and UV-susceptibility. Even slight variations in the monomer composition of black eumelanins and red pheomelanins have been shown to determine significant differences in light absorption, antioxidant, paramagnetic and redox behavior, particle morphology, surface properties, metal chelation and resistance to photo-oxidative wear-and-tear. These variations are primarily governed by the extent of decarboxylation at critical branching points of the eumelanin and pheomelanin pathways, namely the rearrangement of dopachrome to 5,6-dihydroxyindole (DHI and 5,6-dihydroxyindole-2-carboxylic acid (DHICA, and the rearrangement of 5-S-cysteinyldopa o-quinoneimine to 1,4-benzothiazine (BTZ and its 3-carboxylic acid (BTZCA. In eumelanins, the DHICA-to-DHI ratio markedly affects the overall antioxidant and paramagnetic properties of the resulting pigments. In particular, a higher content in DHICA decreases visible light absorption and paramagnetic response relative to DHI-based melanins, but markedly enhances antioxidant properties. In pheomelanins, likewise, BTZCA-related units, prevalently formed in the presence of zinc ions, appear to confer pronounced visible and ultraviolet A (UVA absorption features, accounting for light-dependent reactive oxygen species (ROS production, whereas non-carboxylated benzothiazine intermediates seem to be more effective in inducing ROS production by redox cycling mechanisms in the dark. The possible biological and functional significance of carboxyl retention in the eumelanin and pheomelanin pathways is discussed.

  13. Cuttlefish see shape from shading, fine-tuning coloration in response to pictorial depth cues and directional illumination.

    Science.gov (United States)

    Zylinski, Sarah; Osorio, D; Johnsen, Sonke

    2016-03-16

    Humans use shading as a cue to three-dimensional form by combining low-level information about light intensity with high-level knowledge about objects and the environment. Here, we examine how cuttlefish Sepia officinalis respond to light and shadow to shade the white square (WS) feature in their body pattern. Cuttlefish display the WS in the presence of pebble-like objects, and they can shade it to render the appearance of surface curvature to a human observer, which might benefit camouflage. Here we test how they colour the WS on visual backgrounds containing two-dimensional circular stimuli, some of which were shaded to suggest surface curvature, whereas others were uniformly coloured or divided into dark and light semicircles. WS shading, measured by lateral asymmetry, was greatest when the animal rested on a background of shaded circles and three-dimensional hemispheres, and less on plain white circles or black/white semicircles. In addition, shading was enhanced when light fell from the lighter side of the shaded stimulus, as expected for real convex surfaces. Thus, the cuttlefish acts as if it perceives surface curvature from shading, and takes account of the direction of illumination. However, the direction of WS shading is insensitive to the directions of background shading and illumination; instead the cuttlefish tend to turn to face the light source. © 2016 The Author(s).

  14. To eat or not to eat : egg-based assessment of paternity triggers fine-tuned decisions about filial cannibalism

    NARCIS (Netherlands)

    Mehlis, Marion; Bakker, Theo C. M.; Engqvist, Leif; Frommen, Joachim G.

    2010-01-01

    Filial cannibalism occurs in many animal species ranging from insects to mammals, and is especially well described in teleost fishes. Numerous causes may lead to this behaviour, e. g. certainty of paternity. However, the cues males use to assess their paternity often remain unknown. One possible way

  15. Fine tuning of RFX/DAF-19-regulated target gene expression through binding to multiple sites in Caenorhabditis elegans

    OpenAIRE

    Chu, Jeffery S. C.; Tarailo-Graovac, Maja; Zhang, Di; Wang, Jun; Uyar, Bora; Tu, Domena; Trinh, Joanne; Baillie, David L.; Chen, Nansheng

    2011-01-01

    In humans, mutations of a growing list of regulatory factor X (RFX) target genes have been associated with devastating genetics disease conditions including ciliopathies. However, mechanisms underlying RFX transcription factors (TFs)-mediated gene expression regulation, especially differential gene expression regulation, are largely unknown. In this study, we explore the functional significance of the co-existence of multiple X-box motifs in regulating differential gene expression in Caenorha...

  16. CνB Damping of Primordial Gravitational Waves and the Fine-Tuning of the CγB Temperature Anisotropy

    Directory of Open Access Journals (Sweden)

    A. E. Bernardini

    2014-01-01

    Full Text Available Damping of primordial gravitational waves due to the anisotropic stress contribution owing to the cosmological neutrino background (CνB is investigated in the context of a radiation-to-matter dominated universe. Besides its inherent effects on the gravitational wave propagation, the inclusion of the CνB anisotropic stress into the dynamical equations also affects the tensor mode contribution to the anisotropy of the cosmological microwave background (CγB temperature. The mutual effects on the gravitational waves and on the CγB are obtained through a unified prescription for a radiation-to-matter dominated scenario. The results are confronted with some preliminary results for the radiation dominated scenario. Both scenarios are supported by a simplified analytical framework, in terms of a scale independent dynamical variable, kη, that relates cosmological scales, k, and the conformal time, η. The background relativistic (hot dark matter essentially works as an effective dispersive medium for the gravitational waves such that the damping effect is intensified for the universe evolving to the matter dominated era. Changes on the temperature variance owing to the inclusion of neutrino collision terms into the dynamical equations result in spectral features that ratify that the multipole expansion coefficients ClT’s die out for l~100.

  17. A finely tuned symphony of factors modulates the microbial food web of a freshwater reservoir in spring

    Czech Academy of Sciences Publication Activity Database

    Šimek, Karel; Nedoma, Jiří; Znachor, Petr; Kasalický, Vojtěch; Jezbera, Jan; Horňák, Karel; Seďa, Jaromír

    2014-01-01

    Roč. 59, č. 5 (2014), s. 1477-1492 ISSN 0024-3590 R&D Projects: GA ČR(CZ) GA13-00243S Institutional support: RVO:60077344 Keywords : microbial food web * freshwater reservoir * limnology Subject RIV: EE - Microbiology, Virology Impact factor: 3.794, year: 2014

  18. A fine-tuned fluorinated MOF addresses the needs for trace CO2 removal and air capture using physisorption.

    KAUST Repository

    Bhatt, Prashant

    2016-07-08

    The development of functional solid-state materials for carbon capture at low carbon dioxide (CO2) concentrations, from con-fined spaces (<0.5 %) and particularly from air (400 ppm), is of prime importance with respect to energy and environment sustainability. Herein, we report the deliberate construction of a hydrolytically stable fluorinated metal-organic framework (MOF), NbOFFIVE-1-Ni, with the proper pore system (size, shape and functionality), ideal for efficient and effective traces carbon dioxide removal. Markedly, the CO2-selective NbOFFIVE-1-Ni exhibits the highest CO2 gravimetric and volumetric uptake (ca. 1.3 mmol/g and 51.4 cm3.cm-3) for physical adsorbents at 400 ppm CO2 and 298 K. Practically, the NbOFFIVE-1-Ni affords the complete CO2 desorption at 328 K under vacuum with an associated moderate energy input of 54 kJ/mol, typical for the full CO2 desorption in reference physical adsorbents but considerably lower than the conventional chemical sorbents. Noticeably, the contracted square-like channels, affording the close proximity of the fluorine centers, permitted the enhancement of the CO2-framework interactions and subsequently the attainment of an unprecedented CO2-selectivity at very low CO2 concentrations. The precise localization of the adsorbed CO2 at the vicinity of the periodically aligned fluorine centers, promoting the selective adsorption of CO2, is evidenced by the single-crystal X-ray diffraction study on the NbOFFIVE-1-Ni hosting CO2 molecules. Cyclic CO2/N2 mixed-gas column breakthrough experiments under dry and humid conditions corroborate the excellent CO2-selectivity under practical carbon capture conditions. Pertinently, the no-table hydrolytic stability positions the NbOFFIVE-1-Ni as the new benchmark adsorbent for direct air capture and CO2 removal from confined spaces.

  19. Proteins feel more than they see : Fine-tuning of binding affinity by properties of the non-interacting surface

    NARCIS (Netherlands)

    Kastritis, Panagiotis L.|info:eu-repo/dai/nl/315886668; Garcia Lopes Maia Rodrigues, João|info:eu-repo/dai/nl/330827391; Folkers, Gert E.|info:eu-repo/dai/nl/162277202; Boelens, Rolf|info:eu-repo/dai/nl/070151407; Bonvin, Alexandre M J J|info:eu-repo/dai/nl/113691238

    2014-01-01

    Protein-protein complexes orchestrate most cellular processes such as transcription, signal transduction and apoptosis. The factors governing their affinity remain elusive however, especially when it comes to describing dissociation rates (koff). Here we demonstrate that, next to direct

  20. Triggering receptor expressed on myeloid cells-2 fine-tunes inflammatory responses in murine Gram-negative sepsis

    DEFF Research Database (Denmark)

    Schmidt Thøgersen, Mariane; Gawish, Riem; Martins, Rui

    2015-01-01

    During infections, TLR-mediated responses require tight regulation to allow for pathogen removal, while preventing overwhelming inflammation and immunopathology. The triggering receptor expressed on myeloid cells (TREM)-2 negatively regulates inflammation by macrophages and impacts on phagocytosis...... was followed by an accelerated resolution and ultimately improved survival, associated with the induction of the negative regulator A20. Upon infection with Escherichia coli, the otherwise beneficial effect of an exaggerated early immune response in TREM-2(-/-) animals was counteracted by a 50% reduction...... in bacterial phagocytosis. In line with this, TREM-2(-/-) peritoneal macrophages (PMs) exhibited augmented inflammation following TLR4 stimulation, demonstrating the presence and negative regulatory functionality of TREM-2 on primary PMs. Significantly, we identified a high turnover rate because TREM-2 RNA...

  1. Indoleamine 2,3-Dioxygenase Fine-Tunes Immune Homeostasis in Atherosclerosis and Colitis through Repression of Interleukin-10 Production

    NARCIS (Netherlands)

    Metghalchi, Sarvenaz; Ponnuswamy, Padmapriya; Simon, Tabassome; Haddad, Yacine; Laurans, Ludivine; Clement, Marc; Dalloz, Marion; Romain, Melissa; Esposito, Bruno; Koropoulis, Vincent; Lamas, Bruno; Paul, Jean-Louis; Cottin, Yves; Kotti, Salma; Bruneval, Patrick; Callebert, Jacques; den Ruijter, Hester; Launay, Jean-Marie; Danchin, Nicolas; Sokol, Harry; Tedgui, Alain; Taleb, Soraya; Mallat, Ziad

    2015-01-01

    Indoleamine 2,3-dioxygenase 1 (Ido1) is a rate-limiting enzyme that catalizes the degradation of tryptophan along the kynurenine pathway. Here, we show that Ido1 activity sustains an immunostimulatory potential through inhibition of interleukin (Il)10. In atherosclerosis, Ido1-dependent inhibition

  2. Floral Sonication is an Innate Behaviour in Bumblebees that can be Fine-Tuned with Experience in Manipulating Flowers.

    Science.gov (United States)

    Morgan, Tan; Whitehorn, Penelope; Lye, Gillian C; Vallejo-Marín, Mario

    Bumblebees demonstrate an extensive capacity for learning complex motor skills to maximise exploitation of floral rewards. This ability is well studied in nectar collection but its role in pollen foraging is less well understood. Floral sonication is used by bees to extract pollen from some plant species with anthers which must be vibrated (buzzed) to release pollen. Pollen removal is determined by sonication characteristics including frequency and amplitude, and thus the ability to optimise sonication should allow bees to maximise the pollen collection. We investigated the ability of the buff-tailed bumblebee ( Bombus terrestris ) to modify the frequency and amplitude of their buzzes with increasing experience manipulating flowers of the buzz-pollinated plant Solanum rostratum . We analysed flight and feeding vibrations generated by naïve workers across feeding bouts. Feeding buzzes were of a higher frequency and a lower amplitude than flight buzzes. Both flight and feeding buzzes had reduced amplitudes with increasing number of foraging trips. However, the frequency of their feeding buzzes was reduced significantly more than their flight buzzes as bumblebee workers gained experience manipulating flowers. These results suggest that bumblebees are able to modify the characteristics of their buzzes with experience manipulating buzz-pollinated flowers. We discuss our findings in the context of bumblebee learning, and the current understanding of the optimal sonication characteristics for releasing pollen in buzz-pollinated species. Our results present a tantalising insight into the potential role of learning in floral sonication, paving the way for future research in this area.

  3. Site-Specific Phosphorylation of PSD-95 PDZ Domains Reveals Fine-Tuned Regulation of Protein-Protein Interactions

    DEFF Research Database (Denmark)

    Pedersen, Søren W; Albertsen, Louise; Moran, Griffin E

    2017-01-01

    The postsynaptic density protein of 95 kDa (PSD-95) is a key scaffolding protein that controls signaling at synapses in the brain through interactions of its PDZ domains with the C-termini of receptors, ion channels, and enzymes. PSD-95 is highly regulated by phosphorylation. To explore the effec...

  4. Hydrogen Oxidation-Selective Electrocatalysis by Fine Tuning of Pt Ensemble Sites to Enhance the Durability of Automotive Fuel Cells.

    Science.gov (United States)

    Yun, Su-Won; Park, Shin-Ae; Kim, Tae-June; Kim, Jun-Hyuk; Pak, Gi-Woong; Kim, Yong-Tae

    2017-02-08

    A simple, inexpensive approach is proposed for enhancing the durability of automotive proton exchange membrane fuel cells by selective promotion of the hydrogen oxidation reaction (HOR) and suppression of the oxygen reduction reaction (ORR) at the anode in startup/shutdown events. Dodecanethiol forms a self-assembled monolayer (SAM) on the surface of Pt particles, thus decreasing the number of Pt ensemble sites. Interestingly, by controlling the dodecanethiol concentration during SAM formation, the number of ensemble sites can be precisely optimized such that it is sufficient for the HOR but insufficient for the ORR. Thus, a Pt surface with an SAM of dodecanethiol clearly effects HOR-selective electrocatalysis. Clear HOR selectivity is demonstrated in unit cell tests with the actual membrane electrode assembly, as well as in an electrochemical three-electrode setup with a thin-film rotating disk electrode configuration. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  5. Fine tuning of trehalose biosynthesis and hydrolysis as novel tools for the generation of abiotic stress tolerant plants

    Directory of Open Access Journals (Sweden)

    Ines eDelorge

    2014-04-01

    Full Text Available The impact of abiotic stress on plant growth and development has been and still is a major research topic. An important pathway that has been linked to abiotic stress tolerance is the trehalose biosynthetic pathway. Recent findings showed that trehalose metabolism is also important for normal plant growth and development. The intermediate compound – Trehalose-6-Phosphate (T6P – is now confirmed to act as a sensor for available sucrose, hereby directly influencing the type of response to the changing environmental conditions. This is possible because T6P and/or trehalose or their biosynthetic enzymes are part of complex interaction networks with other crucial hormone and sugar-induced signalling pathways, which may function at different developmental stages. Because of its effect on plant growth and development, modification of trehalose biosynthesis, either at the level of T6P synthesis, T6P hydrolysis or trehalose hydrolysis, has been utilized to try to improve crop yield and biomass. It was shown that alteration of the amounts of either T6P and/or trehalose did result in increased stress tolerance, but also resulted in many unexpected phenotypic alterations. A main challenge is to characterize the part of the signalling pathway resulting in improved stress tolerance, without affecting the pathways resulting in the unwanted phenotypes. One such specific pathway where modification of trehalose metabolism improved stress tolerance, without any side effects, was recently obtained by overexpression of trehalase, which results in a more sensitive reaction of the stomatal guard cells and closing of the stomata under drought stress conditions. We have used the data that have been obtained from different studies to generate the optimal plant that can be constructed based on modifications of trehalose metabolism.

  6. Give Me a Hand... As We Dance With the Dragon: Fine Tuning the Asia-Pacific Hands Concept

    Science.gov (United States)

    2015-06-01

    John Shy wrote, “human beings do not kill and risk death for no reason. Beneath the raw irrationality of violence lies motive—some psychic ...half. The other half is employed in the industry and services sectors; of the active labor force, only about seven percent remains unemployed .38

  7. A Coordination Chemistry Approach to Fine-Tune the Physicochemical Parameters of Lanthanide Complexes Relevant to Medical Applications.

    Science.gov (United States)

    Le Fur, Mariane; Molnár, Enikő; Beyler, Maryline; Kálmán, Ferenc K; Fougère, Olivier; Esteban-Gómez, David; Rousseaux, Olivier; Tripier, Raphaël; Tircsó, Gyula; Platas-Iglesias, Carlos

    2018-03-02

    The geometric features of two pyclen-based ligands possessing identical donor atoms but different site organization have a profound impact in their complexation properties toward lanthanide ions. The ligand containing two acetate groups and a picolinate arm arranged in a symmetrical fashion (L1) forms a Gd 3+ complex being two orders of magnitude less stable than its dissymmetric analogue GdL2. Besides, GdL1 experiences a much faster dissociation following the acid-catalyzed mechanism than GdL2. On the contrary, GdL1 exhibits a lower exchange rate of the coordinated water molecule compared to GdL2. These very different properties are related to different strengths of the Gd-ligand bonds associated to steric effects, which hinder the coordination of a water molecule in GdL2 and the binding of acetate groups in GdL1. © 2018 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  8. Molecular basis for the wide range of affinity found in Csr/Rsm protein-RNA recognition.

    Science.gov (United States)

    Duss, Olivier; Michel, Erich; Diarra dit Konté, Nana; Schubert, Mario; Allain, Frédéric H-T

    2014-04-01

    The carbon storage regulator/regulator of secondary metabolism (Csr/Rsm) type of small non-coding RNAs (sRNAs) is widespread throughout bacteria and acts by sequestering the global translation repressor protein CsrA/RsmE from the ribosome binding site of a subset of mRNAs. Although we have previously described the molecular basis of a high affinity RNA target bound to RsmE, it remains unknown how other lower affinity targets are recognized by the same protein. Here, we have determined the nuclear magnetic resonance solution structures of five separate GGA binding motifs of the sRNA RsmZ of Pseudomonas fluorescens in complex with RsmE. The structures explain how the variation of sequence and structural context of the GGA binding motifs modulate the binding affinity for RsmE by five orders of magnitude (∼10 nM to ∼3 mM, Kd). Furthermore, we see that conformational adaptation of protein side-chains and RNA enable recognition of different RNA sequences by the same protein contributing to binding affinity without conferring specificity. Overall, our findings illustrate how the variability in the Csr/Rsm protein-RNA recognition allows a fine-tuning of the competition between mRNAs and sRNAs for the CsrA/RsmE protein.

  9. A reactive, scalable, and transferable model for molecular energies from a neural network approach based on local information

    Science.gov (United States)

    Unke, Oliver T.; Meuwly, Markus

    2018-06-01

    Despite the ever-increasing computer power, accurate ab initio calculations for large systems (thousands to millions of atoms) remain infeasible. Instead, approximate empirical energy functions are used. Most current approaches are either transferable between different chemical systems, but not particularly accurate, or they are fine-tuned to a specific application. In this work, a data-driven method to construct a potential energy surface based on neural networks is presented. Since the total energy is decomposed into local atomic contributions, the evaluation is easily parallelizable and scales linearly with system size. With prediction errors below 0.5 kcal mol-1 for both unknown molecules and configurations, the method is accurate across chemical and configurational space, which is demonstrated by applying it to datasets from nonreactive and reactive molecular dynamics simulations and a diverse database of equilibrium structures. The possibility to use small molecules as reference data to predict larger structures is also explored. Since the descriptor only uses local information, high-level ab initio methods, which are computationally too expensive for large molecules, become feasible for generating the necessary reference data used to train the neural network.

  10. Ethylene/ethane permeation, diffusion and gas sorption properties of carbon molecular sieve membranes derived from the prototype ladder polymer of intrinsic microporosity (PIM-1)

    KAUST Repository

    Salinas, Octavio

    2016-01-05

    Fine-tuning the microporosity of PIM-1 by heat treatment was applied to develop a suitable carbon molecular sieve membrane for ethylene/ethane separation. Pristine PIM-1 films were heated from 400 to 800 °C under inert N2 atmosphere (< 2 ppm O2). At 400 °C, PIM-1 self-cross-linked and developed polar carbonyl and hydroxyl groups due to partial dioxane splitting in the polymer backbone. Significant degradation occurred at 600 °C due to carbonization of PIM-1 and resulted in 30% increase in cumulative surface area compared to its cross-linked predecessor. In addition, PIM-1-based CMS developed smaller ultramicropores with increasing pyrolysis temperature, which enhanced their molecular sieving capability by restricted diffusion of ethylene and ethane through the matrix due to microstructural carbon densification. Consequently, the pure-gas ethylene permeability (measured at 35 °C and 2 bar) decreased from 1600 Barrer for the pristine PIM-1 to 1.3 Barrer for the amorphous carbon generated at 800 °C, whereas the ethylene/ethane pure-gas selectivity increased significantly from 1.8 to 13.

  11. Validation and extraction of molecular-geometry information from small-molecule databases.

    Science.gov (United States)

    Long, Fei; Nicholls, Robert A; Emsley, Paul; Graǽulis, Saulius; Merkys, Andrius; Vaitkus, Antanas; Murshudov, Garib N

    2017-02-01

    A freely available small-molecule structure database, the Crystallography Open Database (COD), is used for the extraction of molecular-geometry information on small-molecule compounds. The results are used for the generation of new ligand descriptions, which are subsequently used by macromolecular model-building and structure-refinement software. To increase the reliability of the derived data, and therefore the new ligand descriptions, the entries from this database were subjected to very strict validation. The selection criteria made sure that the crystal structures used to derive atom types, bond and angle classes are of sufficiently high quality. Any suspicious entries at a crystal or molecular level were removed from further consideration. The selection criteria included (i) the resolution of the data used for refinement (entries solved at 0.84 Å resolution or higher) and (ii) the structure-solution method (structures must be from a single-crystal experiment and all atoms of generated molecules must have full occupancies), as well as basic sanity checks such as (iii) consistency between the valences and the number of connections between atoms, (iv) acceptable bond-length deviations from the expected values and (v) detection of atomic collisions. The derived atom types and bond classes were then validated using high-order moment-based statistical techniques. The results of the statistical analyses were fed back to fine-tune the atom typing. The developed procedure was repeated four times, resulting in fine-grained atom typing, bond and angle classes. The procedure will be repeated in the future as and when new entries are deposited in the COD. The whole procedure can also be applied to any source of small-molecule structures, including the Cambridge Structural Database and the ZINC database.

  12. Ribosomal S6 Kinase Cooperates with Casein Kinase 2 to Modulate the Drosophila Circadian Molecular Oscillator

    Science.gov (United States)

    Akten, Bikem; Tangredi, Michelle M.; Jauch, Eike; Roberts, Mary A.; Ng, Fanny; Raabe, Thomas; Jackson, F. Rob

    2009-01-01

    There is a universal requirement for post-translational regulatory mechanisms in circadian clock systems. Previous work in Drosophila has identified several kinases, phosphatases and an E3 ligase that are critical for determining the nuclear translocation and/or stability of clock proteins. The present study evaluated the function of p90 ribosomal S6 kinase (RSK) in the Drosophila circadian system. In mammals, RSK1 is a light- and clock-regulated kinase known to be activated by the MAPK pathway, but there is no direct evidence that it functions as a component of the circadian system. Here, we show that Drosophila S6KII RNA displays rhythms in abundance, indicative of circadian control. Importantly, an S6KII null mutant exhibits a short-period circadian phenotype that can be rescued by expression of the wild-type gene in clock neurons, indicating a role for S6KII in the molecular oscillator. Peak PER clock protein expression is elevated in the mutant, indicative of enhanced stability, whereas per mRNA level is decreased, consistent with enhanced feedback repression. Gene reporter assays show that decreased S6KII is associated with increased PER repression. Surprisingly, we demonstrate a physical interaction between S6KII and the Casein Kinase 2 regulatory subunit (CK2β), suggesting a functional relationship between the two kinases. In support of such a relationship, there are genetic interactions between S6KII and CK2 mutations, in vivo, which indicate that CK2 activity is required for S6KII action. We propose that the two kinases cooperate within clock neurons to fine-tune circadian period, improving the precision of the clock mechanism. PMID:19144847

  13. Physiological and Molecular Processes Associated with Long Duration of ABA Treatment

    Directory of Open Access Journals (Sweden)

    Mei Wang

    2018-02-01

    Full Text Available Plants need to respond to various environmental stresses such as abiotic stress for proper development and growth. The responses to abiotic stress can be biochemically demanding, resulting in a trade-off that negatively affects plant growth and development. Thus, plant stress responses must be fine-tuned depending on the stress severity and duration. Abscisic acid, a phytohormone, plays a key role in responses to abiotic stress. Here, we investigated time-dependent physiological and molecular responses to long-term ABA treatment in Arabidopsis as an approach to gain insight into the plant responses to long-term abiotic stress. Upon ABA treatment, the amount of cellular ABA increased to higher levels, reaching to a peak at 24 h after treatment (HAT, and then gradually decreased with time whereas ABA-GE was maintained at lower levels until 24 HAT and then abruptly increased to higher levels at 48 HAT followed by a gradual decline at later time points. Many genes involved in dehydration stress responses, ABA metabolism, chloroplast biogenesis, and chlorophyll degradation were strongly expressed at early time points with a peak at 24 or 48 HAT followed by gradual decreases in induction fold or even suppression at later time points. At the physiological level, long-term ABA treatment caused leaf yellowing, reduced chlorophyll levels, and inhibited chloroplast division in addition to the growth suppression whereas short-term ABA treatment did not affect chlorophyll levels. Our results indicate that the duration of ABA treatment is a crucial factor in determining the mode of ABA-mediated signaling and plant responses: active mobilization of cellular resources at early time points and suppressive responses at later time points.

  14. Magnetismo Molecular (Molecular Magentism)

    Energy Technology Data Exchange (ETDEWEB)

    Reis, Mario S [Universidade Federal Fluminense, Brasil; Moreira Dos Santos, Antonio F [ORNL

    2010-07-01

    The new synthesis processes in chemistry open a new world of research, new and surprising materials never before found in nature can now be synthesized and, as a wonderful result, observed a series of physical phenomena never before imagined. Among these are many new materials the molecular magnets, the subject of this book and magnetic properties that are often reflections of the quantum behavior of these materials. Aside from the wonderful experience of exploring something new, the theoretical models that describe the behavior these magnetic materials are, in most cases, soluble analytically, which allows us to know in detail the physical mechanisms governing these materials. Still, the academic interest in parallel this subject, these materials have a number of properties that are promising to be used in technological devices, such as in computers quantum magnetic recording, magnetocaloric effect, spintronics and many other devices. This volume will journey through the world of molecular magnets, from the structural description of these materials to state of the art research.

  15. Molecular hematology

    National Research Council Canada - National Science Library

    Provan, Drew; Gribben, John

    2010-01-01

    ... The molecular basis of hemophilia, 219 Paul LF Giangrande 4 The genetics of acute myeloid leukemias, 42 Carolyn J Owen & Jude Fitzgibbon 19 The molecular basis of von Willebrand disease, 233 Luciano Baronc...

  16. Physiological and molecular aspects of degradation of plant polysaccharides by fungi: What have we learned from Aspergillus?

    NARCIS (Netherlands)

    Culleton, H.; McKie, V.; de Vries, R.P.

    2013-01-01

    Plant biomass is the most abundant and usable carbon source for many fungal species. Due to its diverse and complex structure, fungi need to produce a large range of enzymes to degrade these polysaccharides into monomeric components. The fine-tuned production of such diverse enzyme sets requires

  17. Targeting Phosphatidylserine with a 64Cu-Labeled Peptide for Molecular Imaging of Apoptosis.

    Science.gov (United States)

    Perreault, Amanda; Richter, Susan; Bergman, Cody; Wuest, Melinda; Wuest, Frank

    2016-10-03

    . Fluorescence microscopy studies revealed that FITC-Ava-PSBP-6 was binding to cell membranes of early apoptotic cells, but was internalized in late apoptotic and necrotic cells. The present study showed that radiotracer 64 Cu-NOTA-Ava-PSBP-6 holds promise as a first peptide-based PET imaging agent for molecular imaging of apoptosis. However, additional "fine-tuning" of 64 Cu-NOTA-Ava-PSBP-6 is required to enhance PS-binding potency and in vivo stability to improve tumor uptake and retention.

  18. Molecular Diagnostics

    OpenAIRE

    Choe, Hyonmin; Deirmengian, Carl A.; Hickok, Noreen J.; Morrison, Tiffany N.; Tuan, Rocky S.

    2015-01-01

    Orthopaedic infections are complex conditions that require immediate diagnosis and accurate identification of the causative organisms to facilitate appropriate management. Conventional methodologies for diagnosis of these infections sometimes lack accuracy or sufficient rapidity. Current molecular diagnostics are an emerging area of bench-to-bedside research in orthopaedic infections. Examples of promising molecular diagnostics include measurement of a specific biomarker in the synovial fluid...

  19. Molecular genetics

    International Nuclear Information System (INIS)

    Parkinson, D.R.; Krontiris, T.G.

    1986-01-01

    In this chapter the authors review new findings concerning the molecular genetics of malignant melanoma in the context of other information obtained from clinical, epidemiologic, and cytogenetic studies in this malignancy. These new molecular approaches promise to provide a more complete understanding of the mechanisms involved in the development of melanoma, thereby suggesting new methods for its treatment and prevention

  20. Molecular Modeling

    Indian Academy of Sciences (India)

    Home; Journals; Resonance – Journal of Science Education; Volume 9; Issue 5. Molecular Modeling: A Powerful Tool for Drug Design and Molecular Docking. Rama Rao Nadendla. General Article Volume 9 Issue 5 May 2004 pp 51-60. Fulltext. Click here to view fulltext PDF. Permanent link:

  1. Convergent modulation of singlet and triplet excited states of phosphine-oxide hosts through the management of molecular structure and functional-group linkages for low-voltage-driven electrophosphorescence.

    Science.gov (United States)

    Han, Chunmiao; Zhang, Zhensong; Xu, Hui; Xie, Guohua; Li, Jing; Zhao, Yi; Deng, Zhaopeng; Liu, Shiyong; Yan, Pengfei

    2013-01-02

    The controllable tuning of the excited states in a series of phosphine-oxide hosts (DPExPOCzn) was realized through introducing carbazolyl and diphenylphosphine-oxide (DPPO) moieties to adjust the frontier molecular orbitals, molecular rigidity, and the location of the triplet excited states by suppressing the intramolecular interplay of the combined multi-insulating and meso linkage. On increasing the number of substituents, simultaneous lowering of the first singlet energy levels (S(1)) and raising of the first triplet energy levels (T(1), about 3.0 eV) were achieved. The former change was mainly due to the contribution of the carbazolyl group to the HOMOs and the extended conjugation. The latter change was due to an enhanced molecular rigidity and the shift of the T(1) states from the diphenylether group to the carbazolyl moieties. This kind of convergent modulation of excited states not only facilitates the exothermic energy transfer to the dopants in phosphorescent organic light-emitting diodes (PHOLEDs), but also realizes the fine-tuning of electrical properties to achieve the balanced carrier injection and transportation in the emitting layers. As the result, the favorable performance of blue-light-emitting PHOLEDs was demonstrated, including much-lower driving voltages of 2.6 V for onset and 3.0 V at 100 cd m(-2), as well as a remarkably improved E.Q.E. of 12.6%. Copyright © 2013 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  2. Molecular geometry

    CERN Document Server

    Rodger, Alison

    1995-01-01

    Molecular Geometry discusses topics relevant to the arrangement of atoms. The book is comprised of seven chapters that tackle several areas of molecular geometry. Chapter 1 reviews the definition and determination of molecular geometry, while Chapter 2 discusses the unified view of stereochemistry and stereochemical changes. Chapter 3 covers the geometry of molecules of second row atoms, and Chapter 4 deals with the main group elements beyond the second row. The book also talks about the complexes of transition metals and f-block elements, and then covers the organometallic compounds and trans

  3. Molecular Electronics

    DEFF Research Database (Denmark)

    Jennum, Karsten Stein

    This thesis includes the synthesis and characterisation of organic compounds designed for molecular electronics. The synthesised organic molecules are mainly based on two motifs, the obigo(phenyleneethynylenes) (OPE)s and tetrathiafulvalene (TTF) as shown below. These two scaffolds (OPE and TTF......) are chemically merged together to form cruciform-like structures that are an essential part of the thesis. The cruciform molecules were subjected to molecular conductance measurements to explore their capability towards single-crystal field-effect transistors (Part 1), molecular wires, and single electron......, however, was obtained by a study of a single molecular transistor. The investigated OPE5-TTF compound was captured in a three-terminal experiment, whereby manipulation of the molecule’s electronic spin was possible in different charge states. Thus, we demonstrated how the cruciform molecules could...

  4. Molecular sciences

    International Nuclear Information System (INIS)

    Anon.

    1975-01-01

    The research in molecular sciences summarized includes photochemistry, radiation chemistry, geophysics, electromechanics, heavy-element oxidizers , heavy element chemistry collisions, atoms, organic solids. A list of publications is included

  5. Molecular fountain.

    Energy Technology Data Exchange (ETDEWEB)

    Strecker, Kevin E.; Chandler, David W.

    2009-09-01

    A molecular fountain directs slowly moving molecules against gravity to further slow them to translational energies that they can be trapped and studied. If the molecules are initially slow enough they will return some time later to the position from which they were launched. Because this round trip time can be on the order of a second a single molecule can be observed for times sufficient to perform Hz level spectroscopy. The goal of this LDRD proposal was to construct a novel Molecular Fountain apparatus capable of producing dilute samples of molecules at near zero temperatures in well-defined user-selectable, quantum states. The slowly moving molecules used in this research are produced by the previously developed Kinematic Cooling technique, which uses a crossed atomic and molecular beam apparatus to generate single rotational level molecular samples moving slowly in the laboratory reference frame. The Kinematic Cooling technique produces cold molecules from a supersonic molecular beam via single collisions with a supersonic atomic beam. A single collision of an atom with a molecule occurring at the correct energy and relative velocity can cause a small fraction of the molecules to move very slowly vertically against gravity in the laboratory. These slowly moving molecules are captured by an electrostatic hexapole guiding field that both orients and focuses the molecules. The molecules are focused into the ionization region of a time-of-flight mass spectrometer and are ionized by laser radiation. The new molecular fountain apparatus was built utilizing a new design for molecular beam apparatus that has allowed us to miniaturize the apparatus. This new design minimizes the volumes and surface area of the machine allowing smaller pumps to maintain the necessary background pressures needed for these experiments.

  6. Effects of Lys to Glu mutations in GsMTx4 on membrane binding, peptide orientation, and self-association propensity, as analyzed by molecular dynamics simulations.

    Science.gov (United States)

    Nishizawa, Kazuhisa; Nishizawa, Manami; Gnanasambandam, Radhakrishnan; Sachs, Frederick; Sukharev, Sergei I; Suchyna, Thomas M

    2015-11-01

    GsMTx4, a gating modifier peptide acting on cationic mechanosensitive channels, has a positive charge (+5e) due to six Lys residues. The peptide does not have a stereospecific binding site on the channel but acts from the boundary lipids within a Debye length of the pore probably by changing local stress. To gain insight into how these Lys residues interact with membranes, we performed molecular dynamics simulations of Lys to Glu mutants in parallel with our experimental work. In silico, K15E had higher affinity for 1-palmitoyl-2-oleoyl-glycero-3-phosphocholine bilayers than wild-type (WT) peptide or any other mutant tested, and showed deeper penetration than WT, a finding consistent with the experimental data. Experimentally, the inhibitory activities of K15E and K25E were most compromised, whereas K8E and K28E inhibitory activities remained similar to WT peptide. Binding of WT in an interfacial mode did not influence membrane thickness. With interfacial binding, the direction of the dipole moments of K15E and K25E was predicted to differ from WT, whereas those of K8E and K28E oriented similarly to that of WT. These results support a model in which binding of GsMTx4 to the membrane acts like an immersible wedge that serves as a membrane expansion buffer reducing local stress and thus inhibiting channel activity. In simulations, membrane-bound WT attracted other WT peptides to form aggregates. This may account for the positive cooperativity observed in the ion channel experiments. The Lys residues seem to fine-tune the depth of membrane binding, the tilt angle, and the dipole moments. Copyright © 2015 Elsevier B.V. All rights reserved.

  7. Molecular docking.

    Science.gov (United States)

    Morris, Garrett M; Lim-Wilby, Marguerita

    2008-01-01

    Molecular docking is a key tool in structural molecular biology and computer-assisted drug design. The goal of ligand-protein docking is to predict the predominant binding mode(s) of a ligand with a protein of known three-dimensional structure. Successful docking methods search high-dimensional spaces effectively and use a scoring function that correctly ranks candidate dockings. Docking can be used to perform virtual screening on large libraries of compounds, rank the results, and propose structural hypotheses of how the ligands inhibit the target, which is invaluable in lead optimization. The setting up of the input structures for the docking is just as important as the docking itself, and analyzing the results of stochastic search methods can sometimes be unclear. This chapter discusses the background and theory of molecular docking software, and covers the usage of some of the most-cited docking software.

  8. Molecular modeling

    Directory of Open Access Journals (Sweden)

    Aarti Sharma

    2009-01-01

    Full Text Available The use of computational chemistry in the development of novel pharmaceuticals is becoming an increasingly important tool. In the past, drugs were simply screened for effectiveness. The recent advances in computing power and the exponential growth of the knowledge of protein structures have made it possible for organic compounds to be tailored to decrease the harmful side effects and increase the potency. This article provides a detailed description of the techniques employed in molecular modeling. Molecular modeling is a rapidly developing discipline, and has been supported by the dramatic improvements in computer hardware and software in recent years.

  9. Molecular spectroscopy

    International Nuclear Information System (INIS)

    Kokh, Eh.; Zonntag, B.

    1981-01-01

    The latest investigation results on molecular spectroscopy with application of synchrotron radiation in the region of vacuum ultraviolet are generalized. Some results on investigation of excited, superexcited and ionized molecule states with the use of adsorption spectroscopy, photoelectron spectroscopy, by fluorescent and mass-spectrometric methods are considered [ru

  10. Molecular Foundry

    Science.gov (United States)

    . New Study Indicates Greater Capacity for Carbon Storage in the Earth's Subsurface A team of Foundry minerals which make up the dominant clays in the Earth's deep subsurface. Doubling Down on Energy Storage identify molecular components within small volumes of biological samples, such as blood or urine. Industry

  11. Molecular farming

    NARCIS (Netherlands)

    Merck, K.B.; Vereijken, J.M.

    2006-01-01

    Molecular Farming is a new and emerging technology that promises relatively cheap and flexible production of large quantities of pharmaceuticals in genetically modified plants. Many stakeholders are involved in the production of pharmaceuticals in plants, which complicates the discussion on the

  12. Molecular gastronomy

    Science.gov (United States)

    This, Hervé

    2005-01-01

    For centuries, cooks have been applying recipes without looking for the mechanisms of the culinary transformations. A scientific discipline that explores these changes from raw ingredients to eating the final dish, is developing into its own field, termed molecular gastronomy. Here, one of the founders of the discipline discusses its aims and importance.

  13. Molecular Star

    Indian Academy of Sciences (India)

    In molecular self-assembly, molecules put themselves together in a predefined way ... work has been already published in Chemistry- A European Jour- nal in the September ... prevalent in matter ranging from atoms to molecules to biomolecules; it is also ... erate chemical forces are reversible and dynamic in nature mean-.

  14. Molecular ferromagnetism

    International Nuclear Information System (INIS)

    Epstein, A.J.

    1990-01-01

    This past year has been one of substantial advancement in both the physics and chemistry of molecular and polymeric ferromagnets. The specific heat studies of (DMeFc)(TCNE) have revealed a cusp at the three-dimensional ferromagnetic transition temperature with a crossover to primarily 1-D behavior at higher temperatures. This paper discusses these studies

  15. Molecular rheology of branched polymers: decoding and exploring the role of architectural dispersity through a synergy of anionic synthesis, interaction chromatography, rheometry and modeling.

    Science.gov (United States)

    van Ruymbeke, E; Lee, H; Chang, T; Nikopoulou, A; Hadjichristidis, N; Snijkers, F; Vlassopoulos, D

    2014-07-21

    polymers. It is important to appreciate that, even optimal model systems, i.e., those synthesized with high-vacuum anionic methods, need thorough characterization via a combination of techniques. Besides helping to improve synthetic techniques, this methodology will be significant in fine-tuning mesoscopic tube-based models and addressing outstanding issues such as the quantitative description of the constraint release mechanism.

  16. Molecular rheology of branched polymers: Decoding and exploring the role of architectural dispersity through a synergy of anionic synthesis, interaction chromatography, rheometry and modeling

    KAUST Repository

    Van Ruymbeke, Evelyne

    2014-01-01

    polymers. It is important to appreciate that, even optimal model systems, i.e., those synthesized with high-vacuum anionic methods, need thorough characterization via a combination of techniques. Besides helping to improve synthetic techniques, this methodology will be significant in fine-tuning mesoscopic tube-based models and addressing outstanding issues such as the quantitative description of the constraint release mechanism. © 2014 the Partner Organisations.

  17. Fine tuning of dwelling time in friction stir welding for preventing material overheating, weld tensile strength increase and weld nugget size decrease

    Directory of Open Access Journals (Sweden)

    Mijajlović Miroslav M.

    2016-01-01

    Full Text Available After successful welding, destructive testing into test samples from Al 2024-T351 friction stir butt welds showed that tensile strength of the weld improve along the joint line, while dimensions of the weld nugget decrease. For those welds, both the base material and the welding tool constantly cool down during the welding phase. Obviously, the base material became overheated during the long dwelling phase what made conditions for creation of joints with the reduced mechanical properties. Preserving all process parameters but varying the dwelling time from 5-27 seconds a new set of welding is done to reach maximal achievable tensile strength. An analytical-numerical-experimental model is used for optimising the duration of the dwelling time while searching for the maximal tensile strength of the welds

  18. Tridiagonal PT-symmetric N-by-N Hamiltonians and a fine-tuning of their observability domains in the strongly non-Hermitian regime

    Czech Academy of Sciences Publication Activity Database

    Znojil, Miloslav

    2007-01-01

    Roč. 40, č. 43 (2007), s. 13131-13148 ISSN 1751-8113 R&D Projects: GA MŠk LC06002; GA ČR GA202/07/1307 Institutional research plan: CEZ:AV0Z10480505 Keywords : quantum-mechanics * pseudo-hermiticity * anharmonic-oscillators Subject RIV: BE - Theoretical Physics Impact factor: 1.680, year: 2007

  19. Structural Fine-Tuning of MIT-Interacting Motif 2 (MIM2) and Allosteric Regulation of ESCRT-III by Vps4 in Yeast.

    Science.gov (United States)

    Kojima, Rieko; Obita, Takayuki; Onoue, Kousuke; Mizuguchi, Mineyuki

    2016-06-05

    The endosomal sorting complex required for transport (ESCRT) facilitates roles in membrane remodeling, such as multivesicular body biogenesis, enveloped virus budding and cell division. In yeast, Vps4 plays a crucial role in intraluminal vesicle formation by disassembling ESCRT proteins. Vps4 is recruited by ESCRT-III proteins to the endosomal membrane through the interaction between the microtubule interacting and trafficking (MIT) domain of Vps4 and the C-terminal MIT-interacting motif (MIM) of ESCRT-III proteins. Here, we have determined the crystal structure of Vps4-MIT in a complex with Vps20, a member of ESCRT-III, and revealed that Vps20 adopts a unique MIM2 conformation. Based on structural comparisons with other known MIM2s, we have refined the consensus sequence of MIM2. We have shown that another ESCRT-III protein, Ist1, binds to Vps4-MIT via its C-terminal MIM1 with higher affinity than Vps2, but lacks MIM2 by surface plasmon resonance. Surprisingly, the Ist1 MIM1 competed with the MIM2 of Vfa1, a regulator of Vps4, for binding to Vps4-MIT, even though these MIMs bind in non-overlapping sites on the MIT. These findings provide insight into the allosteric recognition of MIMs of ESCRT-III by Vps4 and also the regulation of ESCRT machinery at the last step of membrane remodeling. Copyright © 2016 Elsevier Ltd. All rights reserved.

  20. Adamantane-bearing benzylamines and benzylamides: novel building blocks for supramolecular systems with finely tuned binding properties towards β-cyclodextrin

    Czech Academy of Sciences Publication Activity Database

    Rouchal, M.; Matelová, A.; de Carvalho, F. P.; Bernat, R.; Grbić, D.; Kuřitka, I.; Babinský, M.; Marek, R.; Čmelík, Richard; Vícha, R.

    2013-01-01

    Roč. 25, č. 6 (2013), s. 349-361 ISSN 1061-0278 Institutional support: RVO:68081715 Keywords : host-guest system * cyclodextrins * adamantane Subject RIV: CB - Analytical Chemistry, Separation Impact factor: 2.132, year: 2013

  1. On the controlled isotropic shrinkage induced fine-tuning of photo-luminescence in terbium ions embedded silica inverse opal films

    Science.gov (United States)

    Shrivastava, Vishnu Prasad; Kumar, Jitendra; Sivakumar, Sri

    2017-12-01

    Tb3+ embedded silica inverse opal structures with different photonic stop bands have been fabricated by annealing the SiO2-polystyrene spheres (diameter 390 nm) opal template at 320-650 oC. The PSB tuning realized in the wavelength range 498 - 600 nm is shown to depend on annealing temperature and impending isotropic shrinkage of silica matrix. The impact of wide PSB shift on four Tb3+ ion emission bands (blue, green, yellow, and red at 486, 545, 580, and 620 nm, respectively) corresponding to 5D4→7Fj (j = 6,5,4,3) transitions have been investigated. The effect amounts to significant suppression of emission bands at 586, 545 and 486 nm in inverse opals, obtained by annealing opal template at 350, 400, and 650 oC, respectively. Further, luminescence lifetime of Tb3+ ion 5D4 state increases with shrinkage induced in inverse opal progressively and get enhanced up to 2.3 times vis-à-vis reference silica. The changes in refractive index caused by thermal annealing of opal template is found to be responsible for the observed improvement in 5D4 state lifetime.

  2. Large scale comparative codon-pair context analysis unveils general rules that fine-tune evolution of mRNA primary structure.

    Directory of Open Access Journals (Sweden)

    Gabriela Moura

    Full Text Available BACKGROUND: Codon usage and codon-pair context are important gene primary structure features that influence mRNA decoding fidelity. In order to identify general rules that shape codon-pair context and minimize mRNA decoding error, we have carried out a large scale comparative codon-pair context analysis of 119 fully sequenced genomes. METHODOLOGIES/PRINCIPAL FINDINGS: We have developed mathematical and software tools for large scale comparative codon-pair context analysis. These methodologies unveiled general and species specific codon-pair context rules that govern evolution of mRNAs in the 3 domains of life. We show that evolution of bacterial and archeal mRNA primary structure is mainly dependent on constraints imposed by the translational machinery, while in eukaryotes DNA methylation and tri-nucleotide repeats impose strong biases on codon-pair context. CONCLUSIONS: The data highlight fundamental differences between prokaryotic and eukaryotic mRNA decoding rules, which are partially independent of codon usage.

  3. Fine-Tuning Strain and Electronic Activation of Strain-Promoted 1,3-Dipolar Cycloadditions with Endocyclic Sulfamates in SNO-OCTs.

    Science.gov (United States)

    Burke, Eileen G; Gold, Brian; Hoang, Trish T; Raines, Ronald T; Schomaker, Jennifer M

    2017-06-14

    The ability to achieve predictable control over the polarization of strained cycloalkynes can influence their behavior in subsequent reactions, providing opportunities to increase both rate and chemoselectivity. A series of new heterocyclic strained cyclooctynes containing a sulfamate backbone (SNO-OCTs) were prepared under mild conditions by employing ring expansions of silylated methyleneaziridines. SNO-OCT derivative 8 outpaced even a difluorinated cyclooctyne in a 1,3-dipolar cycloaddition with benzylazide. The various orbital interactions of the propargylic and homopropargylic heteroatoms in SNO-OCT were explored both experimentally and computationally. The inclusion of these heteroatoms had a positive impact on stability and reactivity, where electronic effects could be utilized to relieve ring strain. The choice of the heteroatom combinations in various SNO-OCTs significantly affected the alkyne geometries, thus illustrating a new strategy for modulating strain via remote substituents. Additionally, this unique heteroatom activation was capable of accelerating the rate of reaction of SNO-OCT with diazoacetamide over azidoacetamide, opening the possibility of further method development in the context of chemoselective, bioorthogonal labeling.

  4. Fine-tuning of Smad protein function by poly(ADP-ribose polymerases and poly(ADP-ribose glycohydrolase during transforming growth factor β signaling.

    Directory of Open Access Journals (Sweden)

    Markus Dahl

    Full Text Available Initiation, amplitude, duration and termination of transforming growth factor β (TGFβ signaling via Smad proteins is regulated by post-translational modifications, including phosphorylation, ubiquitination and acetylation. We previously reported that ADP-ribosylation of Smads by poly(ADP-ribose polymerase 1 (PARP-1 negatively influences Smad-mediated transcription. PARP-1 is known to functionally interact with PARP-2 in the nucleus and the enzyme poly(ADP-ribose glycohydrolase (PARG can remove poly(ADP-ribose chains from target proteins. Here we aimed at analyzing possible cooperation between PARP-1, PARP-2 and PARG in regulation of TGFβ signaling.A robust cell model of TGFβ signaling, i.e. human HaCaT keratinocytes, was used. Endogenous Smad3 ADP-ribosylation and protein complexes between Smads and PARPs were studied using proximity ligation assays and co-immunoprecipitation assays, which were complemented by in vitro ADP-ribosylation assays using recombinant proteins. Real-time RT-PCR analysis of mRNA levels and promoter-reporter assays provided quantitative analysis of gene expression in response to TGFβ stimulation and after genetic perturbations of PARP-1/-2 and PARG based on RNA interference.TGFβ signaling rapidly induces nuclear ADP-ribosylation of Smad3 that coincides with a relative enhancement of nuclear complexes of Smads with PARP-1 and PARP-2. Inversely, PARG interacts with Smads and can de-ADP-ribosylate Smad3 in vitro. PARP-1 and PARP-2 also form complexes with each other, and Smads interact and activate auto-ADP-ribosylation of both PARP-1 and PARP-2. PARP-2, similar to PARP-1, negatively regulates specific TGFβ target genes (fibronectin, Smad7 and Smad transcriptional responses, and PARG positively regulates these genes. Accordingly, inhibition of TGFβ-mediated transcription caused by silencing endogenous PARG expression could be relieved after simultaneous depletion of PARP-1.Nuclear Smad function is negatively regulated by PARP-1 that is assisted by PARP-2 and positively regulated by PARG during the course of TGFβ signaling.

  5. Fine-tuning alkyne cycloadditions: Insights into photochemistry responsible for the double-strand DNA cleavage via structural perturbations in diaryl alkyne conjugates

    Directory of Open Access Journals (Sweden)

    Igor V. Alabugin

    2011-06-01

    Full Text Available Hybrid molecules combining photoactivated aryl acetylenes and a dicationic lysine moiety cause the most efficient double-strand (ds DNA cleavage known to date for a small molecule. In order to test the connection between the alkylating ability and the DNA-damaging properties of these compounds, we investigated the photoreactivity of three isomeric aryl–tetrafluoropyridinyl (TFP alkynes with amide substituents in different positions (o-, m-, and p- toward a model π-system. Reactions with 1,4-cyclohexadiene (1,4-CHD were used to probe the alkylating properties of the triplet excited states in these three isomers whilst Stern–Volmer quenching experiments were used to investigate the kinetics of photoinduced electron transfer (PET. The three analogous isomeric lysine conjugates cleaved DNA with different efficiencies (34, 15, and 0% of ds DNA cleavage for p-, m-, and o-substituted lysine conjugates, respectively consistent with the alkylating ability of the respective acetamides. The significant protecting effect of the hydroxyl radical and singlet oxygen scavengers to DNA cleavage was shown only with m-lysine conjugate. All three isomeric lysine conjugates inhibited human melanoma cell growth under photoactivation: The p-conjugate had the lowest CC50 (50% cell cytotoxicity value of 1.49 × 10−7 M.

  6. NHC-Ag/Pd-Catalyzed Reductive Carboxylation of Terminal Alkynes with CO2 and H2 : A Combined Experimental and Computational Study for Fine-Tuned Selectivity.

    Science.gov (United States)

    Yu, Dingyi; Zhou, Feng; Lim, Diane S W; Su, Haibin; Zhang, Yugen

    2017-03-09

    Reductive carboxylation of terminal alkynes utilizing CO 2 and H 2 as reactants is an interesting and challenging transformation. Theoretical calculations indicated it would be kinetically possible to obtain cinnamic acid, the reductive carboxylation product, from phenylacetylene in a CO 2 /H 2 system with an N-heterocyclic carbene (NHC)-supported Ag/Pd bimetallic catalysts through competitive carboxylation/hydrogenation cascade reactions in one step. These calculations were verified experimentally with a poly-NHC-supported Ag/Pd catalyst. By tuning the catalyst composition and reaction temperature, phenylacetylene was selectively converted to cinnamic acid, hydrocinnamic acid, or phenylpropiolic acid in excellent yields. © 2017 Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim.

  7. Achievement of tailored laser frequencies by fine-tuning the structural parameters of Fibonacci's in AlxGa1-xAs/GaAs superlattices

    Science.gov (United States)

    Sefir, Yamina; Aziz, Zoubir; Djelti, Redouan; Bouadjemi, Bouabdellah; Bentata, Samir

    2013-10-01

    We investigate the tunneling conduction in AlxGa1-xAs/GaAs Fibonacci superlattices. Using the transfer matrix formalism, the effective mass and envelope function approximations, we calculate the transmission coefficient of quasiperiodic multibarrier system. We examine numerically the effect of the Fibonacci's structural parameters on the electronic energy spectra of Fibonacci Superlattices (FSL). Ours results show that increasing the width of Fibonacci's wells af allows to the confinement of subminibands with a widening of minigaps, this causes a consistent and coherent fragmentation. The barrier thickness of Fibonacci bf acts on the width of subminibands by controlling the interaction force between neighboring eigenstates. Its increase gives rise to singularly extended states. The barrier height Fibonacci Vf permit to control the degree of structural disorder in these structures. The variation of these parameters permits the design of laser with modulated wavelength.

  8. Finely Tuned SnO2 Nanoparticles for Efficient Detection of Reducing and Oxidizing Gases: The Influence of Alkali Metal Cation on Gas-Sensing Properties.

    Science.gov (United States)

    Lee, Szu-Hsuan; Galstyan, Vardan; Ponzoni, Andrea; Gonzalo-Juan, Isabel; Riedel, Ralf; Dourges, Marie-Anne; Nicolas, Yohann; Toupance, Thierry

    2018-03-28

    Tin dioxide (SnO 2 ) nanoparticles were straightforwardly synthesized using an easily scaled-up liquid route that involves the hydrothermal treatment, either under acidic or basic conditions, of a commercial tin dioxide particle suspension including potassium counterions. After further thermal post-treatment, the nanomaterials have been thoroughly characterized by Fourier transform infrared and Raman spectroscopy, powder X-ray diffraction, transmission electron microscopy, X-ray photoelectron spectroscopy, and nitrogen sorption porosimetry. Varying pH conditions and temperature of the thermal treatment provided cassiterite SnO 2 nanoparticles with crystallite sizes ranging from 7.3 to 9.7 nm and Brunauer-Emmett-Teller surface areas ranging from 61 to 106 m 2 ·g -1 , acidic conditions favoring potassium cation removal. Upon exposure to a reducing gas (H 2 , CO, and volatile organic compounds such as ethanol and acetone) or oxidizing gas (NO 2 ), layers of these SnO 2 nanoparticles led to highly sensitive, reversible, and reproducible responses. The sensing results were discussed in regard to the crystallite size, specific area, valence band energy, Debye length, and chemical composition. Results highlight the impact of the counterion residuals, which affect the gas-sensing performance to an extent much higher than that of size and surface area effects. Tin dioxide nanoparticles prepared under acidic conditions and calcined in air showed the best sensing performances because of lower amount of potassium cations and higher crystallinity, despite the lower surface area.

  9. K+ and NH4(+) modulate gill (Na+, K+)-ATPase activity in the blue crab, Callinectes ornatus: fine tuning of ammonia excretion.

    Science.gov (United States)

    Garçon, D P; Masui, D C; Mantelatto, F L M; McNamara, J C; Furriel, R P M; Leone, F A

    2007-05-01

    To better comprehend the mechanisms of ionic regulation, we investigate the modulation by Na+, K+, NH4(+) and ATP of the (Na+, K+)-ATPase in a microsomal fraction from Callinectes ornatus gills. ATP hydrolysis obeyed Michaelis-Menten kinetics with KM=0.61+/-0.03 mmol L(-1) and maximal rate of V=116.3+/-5.4 U mg(-1). Stimulation by Na+ (V=110.6+/-6.1 U mg(-1); K0.5=6.3+/-0.2 mmol L(-1)), Mg2+ (V=111.0+/-4.7 U mg(-1); K0.5=0.53+/-0.03 mmol L(-1)), NH4(+) (V=173.3+/-6.9 U mg(-1); K0.5=5.4+/-0.2 mmol L(-1)) and K+ (V=116.0+/-4.9 U mg(-1); K0.5=1.5+/-0.1 mmol L(-1)) followed a single saturation curve, although revealing site-site interactions. In the absence of NH4(+), ouabain (K(I)=74.5+/-1.2 micromol L(-1)) and orthovanadate inhibited ATPase activity by up to 87%; the inhibition patterns suggest the presence of F0F1 and K+-ATPases but not Na+-, V- or Ca2+-ATPase as contaminants. (Na+, K+)-ATPase activity was synergistically modulated by K+ and NH4(+). At 10 mmol L(-1) K+, increasing NH4(+) concentrations stimulated maximum activity to V=185.9+/-7.4 U mg(-1). However, at saturating NH4(+) (50 mmol L(-1)), increasing K+ concentrations did not stimulate activity further. Our findings provide evidence that the C. ornatus gill (Na+, K+)-ATPase may be particularly well suited for extremely efficient active NH4(+) excretion. At elevated NH4(+) concentrations, the enzyme is fully active, regardless of hemolymph K+ concentration, and K+ cannot displace NH4(+) from its exclusive binding sites. Further, the binding of NH4(+) to its specific sites induces an increase in enzyme apparent affinity for K+, which may contribute to maintaining K+ transport, assuring that exposure to elevated ammonia concentrations does not lead to a decrease in intracellular potassium levels. This is the first report of modulation by ammonium ions of C. ornatus gill (Na+, K+)-ATPase, and should further our understanding of NH4(+) excretion in benthic crabs.

  10. Metal–organic frameworks to satisfy gas upgrading demands: fine-tuning the soc-MOF platform for the operative removal of H2S

    KAUST Repository

    Belmabkhout, Youssef; Pillai, Renjith S.; Alezi, Dalal; Shekhah, Osama; Bhatt, Prashant; Chen, Zhijie; Adil, Karim; Vaesen, Sebastien; De Weireld, Guy; Pang, Maolin; Suetin, Mikhail; Cairns, Amy; Solovyeva, Vera; Shkurenko, Aleksander; El Tall, Omar; Maurin, Guillaume; Eddaoudi, Mohamed

    2017-01-01

    -framework counter ions (NO3-, Cl- and Br-). In3+-, Fe3+-, Ga3+-and the newly isolated Al(III)-based isostructural soc-MOF were extensively studied and evaluated for the separation-based production of high-quality fuels (i.e., CH4, C3H8 and n-C4H10) and olefins

  11. Fine-tuning of actin dynamics by the HSPB8-BAG3 chaperone complex facilitates cytokinesis and contributes to its impact on cell division.

    Science.gov (United States)

    Varlet, Alice Anaïs; Fuchs, Margit; Luthold, Carole; Lambert, Herman; Landry, Jacques; Lavoie, Josée N

    2017-07-01

    The small heat shock protein HSPB8 and its co-chaperone BAG3 are proposed to regulate cytoskeletal proteostasis in response to mechanical signaling in muscle cells. Here, we show that in dividing cells, the HSPB8-BAG3 complex is instrumental to the accurate disassembly of the actin-based contractile ring during cytokinesis, a process required to allow abscission of daughter cells. Silencing of HSPB8 markedly decreased the mitotic levels of BAG3 in HeLa cells, supporting its crucial role in BAG3 mitotic functions. Cells depleted of HSPB8 were delayed in cytokinesis, remained connected via a disorganized intercellular bridge, and exhibited increased incidence of nuclear abnormalities that result from failed cytokinesis (i.e., bi- and multi-nucleation). Such phenotypes were associated with abnormal accumulation of F-actin at the intercellular bridge of daughter cells at telophase. Remarkably, the actin sequestering drug latrunculin A, like the inhibitor of branched actin polymerization CK666, normalized F-actin during cytokinesis and restored proper cell division in HSPB8-depleted cells, implicating deregulated actin dynamics as a cause of abscission failure. Moreover, this HSPB8-dependent phenotype could be corrected by rapamycin, an autophagy-promoting drug, whereas it was mimicked by drugs impairing lysosomal function. Together, the results further support a role for the HSPB8-BAG3 chaperone complex in quality control of actin-based structure dynamics that are put under high tension, notably during cell cytokinesis. They expand a so-far under-appreciated connection between selective autophagy and cellular morphodynamics that guide cell division.

  12. Accumulative job demands and support for strength use: Fine-tuning the job demands-resources model using conservation of resources theory.

    Science.gov (United States)

    van Woerkom, Marianne; Bakker, Arnold B; Nishii, Lisa H

    2016-01-01

    Absenteeism associated with accumulated job demands is a ubiquitous problem. We build on prior research on the benefits of counteracting job demands with resources by focusing on a still untapped resource for buffering job demands-that of strengths use. We test the idea that employees who are actively encouraged to utilize their personal strengths on the job are better positioned to cope with job demands. Based on conservation of resources (COR) theory, we hypothesized that job demands can accumulate and together have an exacerbating effect on company registered absenteeism. In addition, using job demands-resources theory, we hypothesized that perceived organizational support for strengths use can buffer the impact of separate and combined job demands (workload and emotional demands) on absenteeism. Our sample consisted of 832 employees from 96 departments (response rate = 40.3%) of a Dutch mental health care organization. Results of multilevel analyses indicated that high levels of workload strengthen the positive relationship between emotional demands and absenteeism and that support for strength use interacted with workload and emotional job demands in the predicted way. Moreover, workload, emotional job demands, and strengths use interacted to predict absenteeism. Strengths use support reduced the level of absenteeism of employees who experienced both high workload and high emotional demands. We conclude that providing strengths use support to employees offers organizations a tool to reduce absenteeism, even when it is difficult to redesign job demands. (c) 2016 APA, all rights reserved).

  13. Accumulative job demands and support for strength use : Fine-tuning the job demands-resources model using conservation of resources theory

    NARCIS (Netherlands)

    van Woerkom, M.; Bakker, A.B.; Nishii, L.H.

    2016-01-01

    Absenteeism associated with accumulated job demands is a ubiquitous problem. We build on prior research on the benefits of counteracting job demands with resources by focusing on a still untapped resource for buffering job demands—that of strengths use. We test the idea that employees who are

  14. Fine-tuning of T-cell development by the CD3γ di-leucine-based TCR-sorting motif

    DEFF Research Database (Denmark)

    Lauritsen, Jens Peter Holst; Boding, Lasse; Buus, Terkild B

    2015-01-01

    The CD3γ di-leucine-based (diL) receptor-sorting motif plays a central role in TCR down-regulation and in clonal expansion of virus-specific T cells. However, the role of the CD3γ diL motif in T-cell development is not known. In this study, we show that protein kinase C-induced TCR down-regulatio......The CD3γ di-leucine-based (diL) receptor-sorting motif plays a central role in TCR down-regulation and in clonal expansion of virus-specific T cells. However, the role of the CD3γ diL motif in T-cell development is not known. In this study, we show that protein kinase C-induced TCR down...

  15. Fine-Tuned Intrinsically Ultramicroporous Polymers Redefine the Permeability/Selectivity Upper Bounds of Membrane-Based Air and Hydrogen Separations

    KAUST Repository

    Swaidan, Raja; Ghanem, Bader; Pinnau, Ingo

    2015-01-01

    Intrinsically ultramicroporous (<7 Å) polymers represent a new paradigm in materials development for membrane-based gas separation. In particular, they demonstrate that uniting intrachain “rigidity”, the traditional design metric of highly permeable

  16. Molecular evolution of rbcL in three gymnosperm families: identifying adaptive and coevolutionary patterns

    LENUS (Irish Health Repository)

    Sen, Lin

    2011-06-03

    Abstract Background The chloroplast-localized ribulose-1, 5-biphosphate carboxylase\\/oxygenase (Rubisco), the primary enzyme responsible for autotrophy, is instrumental in the continual adaptation of plants to variations in the concentrations of CO2. The large subunit (LSU) of Rubisco is encoded by the chloroplast rbcL gene. Although adaptive processes have been previously identified at this gene, characterizing the relationships between the mutational dynamics at the protein level may yield clues on the biological meaning of such adaptive processes. The role of such coevolutionary dynamics in the continual fine-tuning of RbcL remains obscure. Results We used the timescale and phylogenetic analyses to investigate and search for processes of adaptive evolution in rbcL gene in three gymnosperm families, namely Podocarpaceae, Taxaceae and Cephalotaxaceae. To understand the relationships between regions identified as having evolved under adaptive evolution, we performed coevolutionary analyses using the software CAPS. Importantly, adaptive processes were identified at amino acid sites located on the contact regions among the Rubisco subunits and on the interface between Rubisco and its activase. Adaptive amino acid replacements at these regions may have optimized the holoenzyme activity. This hypothesis was pinpointed by evidence originated from our analysis of coevolution that supported the correlated evolution between Rubisco and its activase. Interestingly, the correlated adaptive processes between both these proteins have paralleled the geological variation history of the concentration of atmospheric CO2. Conclusions The gene rbcL has experienced bursts of adaptations in response to the changing concentration of CO2 in the atmosphere. These adaptations have emerged as a result of a continuous dynamic of mutations, many of which may have involved innovation of functional Rubisco features. Analysis of the protein structure and the functional implications of such

  17. Solution-Processed Molecular Organic Solar cell: Relationship between Morphology and Device Performance

    KAUST Repository

    Babics, Maxime

    2018-05-09

    high performing devices. In the second part of the dissertation, the effect of solvent vapor annealing, particularly effective for SM:PCBM BHJ, is discussed where excellent control of the morphology is achieved. In the last part of the dissertation, efficient organic solar cells with open circuit voltage of >1.05V are made via fine-tuning of the morphology.

  18. Molecular Modelling

    Directory of Open Access Journals (Sweden)

    Aarti Sharma

    2009-12-01

    Full Text Available

    The use of computational chemistry in the development of novel pharmaceuticals is becoming an increasingly important
    tool. In the past, drugs were simply screened for effectiveness. The recent advances in computing power and
    the exponential growth of the knowledge of protein structures have made it possible for organic compounds to tailored to
    decrease harmful side effects and increase the potency. This article provides a detailed description of the techniques
    employed in molecular modeling. Molecular modelling is a rapidly developing discipline, and has been supported from
    the dramatic improvements in computer hardware and software in recent years.

  19. Molecular scale

    Directory of Open Access Journals (Sweden)

    Christopher H. Childers

    2016-03-01

    Full Text Available This manuscript demonstrates the molecular scale cure rate dependence of di-functional epoxide based thermoset polymers cured with amines. A series of cure heating ramp rates were used to determine the influence of ramp rate on the glass transition temperature (Tg and sub-Tg transitions and the average free volume hole size in these systems. The networks were comprised of 3,3′-diaminodiphenyl sulfone (33DDS and diglycidyl ether of bisphenol F (DGEBF and were cured at ramp rates ranging from 0.5 to 20 °C/min. Differential scanning calorimetry (DSC and NIR spectroscopy were used to explore the cure ramp rate dependence of the polymer network growth, whereas broadband dielectric spectroscopy (BDS and free volume hole size measurements were used to interrogate networks’ molecular level structural variations upon curing at variable heating ramp rates. It was found that although the Tg of the polymer matrices was similar, the NIR and DSC measurements revealed a strong correlation for how these networks grow in relation to the cure heating ramp rate. The free volume analysis and BDS results for the cured samples suggest differences in the molecular architecture of the matrix polymers due to cure heating rate dependence.

  20. Spintronics: The molecular way

    Science.gov (United States)

    Cornia, Andrea; Seneor, Pierre

    2017-05-01

    Molecular spintronics is an interdisciplinary field at the interface between organic spintronics, molecular magnetism, molecular electronics and quantum computing, which is advancing fast and promises large technological payoffs.

  1. Molecular nanomagnets

    CERN Document Server

    Gatteschi, Dante; Villain, Jacques

    2006-01-01

    Nanomagnetism is a rapidly expanding area of research which appears to be able to provide novel applications. Magnetic molecules are at the very bottom of the possible size of nanomagnets and they provide a unique opportunity to observe the coexistence of classical and quantum properties. The discovery in the early 90's that a cluster comprising twelve manganese ions shows hysteresis of molecular origin, and later proved evidence of quantum effects, opened a new research area whichis still flourishing through the collaboration of chemists and physicists. This book is the first attempt to cover

  2. Molecular plasmonics

    CERN Document Server

    Fritzsche, Wolfgang

    2014-01-01

    Adopting a novel approach, this book provides a unique ""molecular perspective"" on plasmonics, concisely presenting the fundamentals and applications in a way suitable for beginners entering this hot field as well as for experienced researchers and practitioners. It begins by introducing readers to the optical effects that occur at the nanoscale and particularly their modification in the presence of biomolecules, followed by a concise yet thorough overview of the different methods for the actual fabrication of nanooptical materials. Further chapters address the relevant nanooptics, as well as

  3. Impact of molecular solvophobicity vs. solvophilicity on device performances of dimeric perylene diimide based solution-processed non-fullerene organic solar cells.

    Science.gov (United States)

    Lu, Zhenhuan; Zhang, Xin; Zhan, Chuanlang; Jiang, Bo; Zhang, Xinliang; Chen, Lili; Yao, Jiannian

    2013-07-21

    Because of their outstanding molecular optoelectronic properties, perylene diimides (PDIs) are promising alternatives to the commonly used PCBM. However, the overly strong aggregation ability, poor solution-processability and compatibility of PDIs severely limit their photovoltaic applications. We turned to borrowing the amphiphile concept to improve these supramolecular properties. Practically, we fine-tuned the molecular solvophobicity with respect to the molecular solvophilicity, e.g. F(solvophob/solvophil), by changing the number of the weakly solvophobic 2-methoxyethoxyl (EG) groups in the bay-region of the thienyl-bridged dimeric PDI backbone, forming three PDI dimers of Bis-PDI-T (0 EG), Bis-PDI-T-EG (2 EG) and Bis-PDI-T-di-EG (4 EG) (Scheme 1). The photovoltaic properties using these dimers as the solution-processed non-fullerene electron-acceptor and P3HT as the electron-donor were investigated via the device configuration of ITO/PEDOT:PSS/P3HT:PDI dimer/Ca/Al. Bis-PDI-T exhibited overly strong aggregation ability and very poor solution-processability, which severely limited compatibility, giving a very poor power conversion efficiency (PCE) of 0.007%. When two EG groups were attached at the 1,1'-positions, the resulted Bis-PDI-T-EG showed dramatically reduced aggregation ability, improved solution-processability, compatibility and proper phase separation. Small sized phases (∼20 nm) dominated in the active layer and the best PCE was increased to 0.39%. When four solvophobic EG functions were introduced, affording Bis-PDI-T-di-EG with excellent supramolecular properties, particularly, the improvement of the phase separation with an increased phase size of 24 nm and the enhanced electron and hole mobilities, by 2-4 times, with respect to that of Bis-PDI-T-EG. The best PCE was further enhanced to 0.88%. After using 1-chloronaphthalene as the co-solvent of 1,2-dichlorobenzene to further improve the compatibility, the PCE was improved further up to 0.41% for

  4. Progress on molecular imaging

    International Nuclear Information System (INIS)

    Chen Quan; Zhang Yongxue

    2011-01-01

    Molecular imaging is a new era of medical imaging,which can non-invasively monitor biological processes at the cellular and molecular level in vivo, including molecular imaging of nuclear medicine, magnetic resonance molecular imaging, ultrasound molecular imaging,optical molecular imaging and molecular imaging with X-ray. Recently, with the development of multi-subjects amalgamation, multimodal molecular imaging technology has been applied in clinical imaging, such as PET-CT and PET-MRI. We believe that with development of molecular probe and multi-modal imaging, more and more molecular imaging techniques will be applied in clinical diagnosis and treatment. (authors)

  5. Molecular Electronic Terms and Molecular Orbital Configurations.

    Science.gov (United States)

    Mazo, R. M.

    1990-01-01

    Discussed are the molecular electronic terms which can arise from a given electronic configuration. Considered are simple cases, molecular states, direct products, closed shells, and open shells. Two examples are provided. (CW)

  6. An ab initio molecular

    Indian Academy of Sciences (India)

    mechanisms of two molecular crystals: An ab initio molecular dynamics ... for Computation in Molecular and Materials Science and Department of Chemistry, School of ..... NSAF Foundation of National Natural Science Foun- ... Matter 14 2717.

  7. Retorts

    Energy Technology Data Exchange (ETDEWEB)

    Bryson, J; Jones, J; Fraser, W

    1894-04-27

    The invention relates to vertical retorts for the distillation of shale and other bituminous substances, or for the calcining of ironstone etc. The retorts are circular in cross-section and have tapering lower ends. For the purpose of effecting a continuous or intermittent movement of the substance under treatment, there is mounted at the base of each retort a supporting disk or table, above which is an arm or scraper capable of being revolved by means of an upright spindle actuated by a ratchet and pawl or other means. The form of the table and scraper may be modified. The discharging hoppers of the two rows of retorts have their openings so arranged as to discharge into a single truck, which runs along a central passage underneath the retorts. Or they may discharge into a trough containing a worm, screw, or endless-band conveyer.

  8. Molecular HIV screening.

    Science.gov (United States)

    Bourlet, Thomas; Memmi, Meriam; Saoudin, Henia; Pozzetto, Bruno

    2013-09-01

    Nuclear acid testing is more and more used for the diagnosis of infectious diseases. This paper focuses on the use of molecular tools for HIV screening. The term 'screening' will be used under the meaning of first-line HIV molecular techniques performed on a routine basis, which excludes HIV molecular tests designed to confirm or infirm a newly discovered HIV-seropositive patient or other molecular tests performed for the follow-up of HIV-infected patients. The following items are developed successively: i) presentation of the variety of molecular tools used for molecular HIV screening, ii) use of HIV molecular tools for the screening of blood products, iii) use of HIV molecular tools for the screening of organs and tissue from human origin, iv) use of HIV molecular tools in medically assisted procreation and v) use of HIV molecular tools in neonates from HIV-infected mothers.

  9. Cellular and molecular mechanisms of HIV-1 integration targeting.

    Science.gov (United States)

    Engelman, Alan N; Singh, Parmit K

    2018-07-01

    Integration is central to HIV-1 replication and helps mold the reservoir of cells that persists in AIDS patients. HIV-1 interacts with specific cellular factors to target integration to interior regions of transcriptionally active genes within gene-dense regions of chromatin. The viral capsid interacts with several proteins that are additionally implicated in virus nuclear import, including cleavage and polyadenylation specificity factor 6, to suppress integration into heterochromatin. The viral integrase protein interacts with transcriptional co-activator lens epithelium-derived growth factor p75 to principally position integration within gene bodies. The integrase additionally senses target DNA distortion and nucleotide sequence to help fine-tune the specific phosphodiester bonds that are cleaved at integration sites. Research into virus-host interactions that underlie HIV-1 integration targeting has aided the development of a novel class of integrase inhibitors and may help to improve the safety of viral-based gene therapy vectors.

  10. Understanding molecular structure from molecular mechanics.

    Science.gov (United States)

    Allinger, Norman L

    2011-04-01

    Molecular mechanics gives us a well known model of molecular structure. It is less widely recognized that valence bond theory gives us structures which offer a direct interpretation of molecular mechanics formulations and parameters. The electronic effects well-known in physical organic chemistry can be directly interpreted in terms of valence bond structures, and hence quantitatively calculated and understood. The basic theory is outlined in this paper, and examples of the effects, and their interpretation in illustrative examples is presented.

  11. Molecular sensors and molecular logic gates

    International Nuclear Information System (INIS)

    Georgiev, N.; Bojinov, V.

    2013-01-01

    Full text: The rapid grow of nanotechnology field extended the concept of a macroscopic device to the molecular level. Because of this reason the design and synthesis of (supra)-molecular species capable of mimicking the functions of macroscopic devices are currently of great interest. Molecular devices operate via electronic and/or nuclear rearrangements and, like macroscopic devices, need energy to operate and communicate between their elements. The energy needed to make a device work can be supplied as chemical energy, electrical energy, or light. Luminescence is one of the most useful techniques to monitor the operation of molecular-level devices. This fact determinates the synthesis of novel fluorescence compounds as a considerable and inseparable part of nanoscience development. Further miniaturization of semiconductors in electronic field reaches their limit. Therefore the design and construction of molecular systems capable of performing complex logic functions is of great scientific interest now. In semiconductor devices the logic gates work using binary logic, where the signals are encoded as 0 and 1 (low and high current). This process is executable on molecular level by several ways, but the most common are based on the optical properties of the molecule switches encoding the low and high concentrations of the input guest molecules and the output fluorescent intensities with binary 0 and 1 respectively. The first proposal to execute logic operations at the molecular level was made in 1988, but the field developed only five years later when the analogy between molecular switches and logic gates was experimentally demonstrated by de Silva. There are seven basic logic gates: AND, OR, XOR, NOT, NAND, NOR and XNOR and all of them were achieved by molecules, the fluorescence switching as well. key words: fluorescence, molecular sensors, molecular logic gates

  12. Basic molecular spectroscopy

    CERN Document Server

    Gorry, PA

    1985-01-01

    BASIC Molecular Spectroscopy discusses the utilization of the Beginner's All-purpose Symbolic Instruction Code (BASIC) programming language in molecular spectroscopy. The book is comprised of five chapters that provide an introduction to molecular spectroscopy through programs written in BASIC. The coverage of the text includes rotational spectra, vibrational spectra, and Raman and electronic spectra. The book will be of great use to students who are currently taking a course in molecular spectroscopy.

  13. Digitotalar dysmorphism: Molecular elucidation

    African Journals Online (AJOL)

    obtained for molecular studies. Since the distal arthrogryposes (DAs) are genetically heterogeneous, an unbiased approach to mutation ... Diseases and Molecular Medicine, Department of Pathology, Faculty of Health Sciences, University of Cape Town, South Africa, with an interest in molecular genetics of connective ...

  14. Artificial molecular motors

    NARCIS (Netherlands)

    Kassem, Salma; van Leeuwen, Thomas; Lubbe, Anouk S.; Wilson, Miriam R.; Feringa, Ben L.; Leigh, David A.

    2017-01-01

    Motor proteins are nature's solution for directing movement at the molecular level. The field of artificial molecular motors takes inspiration from these tiny but powerful machines. Although directional motion on the nanoscale performed by synthetic molecular machines is a relatively new

  15. Molecular computing origins and promises

    CERN Document Server

    Rambidi, Nicholas G

    2014-01-01

    Molecular Computing explores whether molecular primitives can prove to be real alternatives to contemporary semiconductor means. The text discusses molecular primitives and circuitry for information processing devices.

  16. Molecular similarity measures.

    Science.gov (United States)

    Maggiora, Gerald M; Shanmugasundaram, Veerabahu

    2011-01-01

    Molecular similarity is a pervasive concept in chemistry. It is essential to many aspects of chemical reasoning and analysis and is perhaps the fundamental assumption underlying medicinal chemistry. Dissimilarity, the complement of similarity, also plays a major role in a growing number of applications of molecular diversity in combinatorial chemistry, high-throughput screening, and related fields. How molecular information is represented, called the representation problem, is important to the type of molecular similarity analysis (MSA) that can be carried out in any given situation. In this work, four types of mathematical structure are used to represent molecular information: sets, graphs, vectors, and functions. Molecular similarity is a pairwise relationship that induces structure into sets of molecules, giving rise to the concept of chemical space. Although all three concepts - molecular similarity, molecular representation, and chemical space - are treated in this chapter, the emphasis is on molecular similarity measures. Similarity measures, also called similarity coefficients or indices, are functions that map pairs of compatible molecular representations that are of the same mathematical form into real numbers usually, but not always, lying on the unit interval. This chapter presents a somewhat pedagogical discussion of many types of molecular similarity measures, their strengths and limitations, and their relationship to one another. An expanded account of the material on chemical spaces presented in the first edition of this book is also provided. It includes a discussion of the topography of activity landscapes and the role that activity cliffs in these landscapes play in structure-activity studies.

  17. Molecular photoionization dynamics

    International Nuclear Information System (INIS)

    Dehmer, J.L.

    1982-01-01

    This program seeks to develop both physical insight and quantitative characterization of molecular photoionization processes. Progress is briefly described, and some publications resulting from the research are listed

  18. Polymer friction Molecular Dynamics

    DEFF Research Database (Denmark)

    Sivebæk, Ion Marius; Samoilov, Vladimir N.; Persson, Bo N. J.

    We present molecular dynamics friction calculations for confined hydrocarbon solids with molecular lengths from 20 to 1400 carbon atoms. Two cases are considered: a) polymer sliding against a hard substrate, and b) polymer sliding on polymer. In the first setup the shear stresses are relatively...... independent of molecular length. For polymer sliding on polymer the friction is significantly larger, and dependent on the molecular chain length. In both cases, the shear stresses are proportional to the squeezing pressure and finite at zero load, indicating an adhesional contribution to the friction force....

  19. Making molecular machines work

    NARCIS (Netherlands)

    Browne, Wesley R.; Feringa, Ben L.

    2006-01-01

    In this review we chart recent advances in what is at once an old and very new field of endeavour the achievement of control of motion at the molecular level including solid-state and surface-mounted rotors, and its natural progression to the development of synthetic molecular machines. Besides a

  20. Veterinary Molecular Diagnostics

    NARCIS (Netherlands)

    Roest, H.I.J.; Engelsma, M.Y.; Weesendorp, E.; Bossers, A.; Elbers, A.R.W.

    2017-01-01

    In veterinary molecular diagnostics, samples originating from animals are tested. Developments in the farm animals sector and in our societal attitude towards pet animals have resulted in an increased demand for fast and reliable diagnostic techniques. Molecular diagnostics perfectly matches this

  1. Molecular Beacons in Diagnostics

    OpenAIRE

    Tyagi, Sanjay; Kramer, Fred Russell

    2012-01-01

    Recent technical advances have begun to realize the potential of molecular beacons to test for diverse infections in clinical diagnostic laboratories. These include the ability to test for, and quantify, multiple pathogens in the same clinical sample, and to detect antibiotic resistant strains within hours. The design principles of molecular beacons have also spawned a variety of allied technologies.

  2. Molecular microbial ecology manual

    NARCIS (Netherlands)

    Kowalchuk, G.A.; Bruijn, de F.J.; Head, I.M.; Akkermans, A.D.L.

    2004-01-01

    The field of microbial ecology has been revolutionized in the past two decades by the introduction of molecular methods into the toolbox of the microbial ecologist. This molecular arsenal has helped to unveil the enormity of microbial diversity across the breadth of the earth's ecosystems, and has

  3. Principles of molecular oncology

    National Research Council Canada - National Science Library

    Bronchud, Miguel H

    2008-01-01

    ...-threatening diseases. Many new molecularly targeted diagnostics and therapeutics described in this text, developed based on the rapid growth in our understanding of the molecular basis of cancer, already substantially improve survival of patients with previously lethal malignancies, and also improve quality of life because of fewer toxicities. Clearly re...

  4. Molecular Typing and Differentiation

    Science.gov (United States)

    In this chapter, general background and bench protocols are provided for a number of molecular typing techniques in common use today. Methods for the molecular typing and differentiation of microorganisms began to be widely adopted following the development of the polymerase chai...

  5. Principles of molecular oncology

    National Research Council Canada - National Science Library

    Bronchud, Miguel H; Thomas, E. Donnall; Weatherall, D. J; Crowther, D. G

    2004-01-01

    ...-threatening diseases. Many new molecularly targeted diagnostics and therapeutics described in this text, developed based on the rapid growth in our understanding of the molecular basis of cancer, already substantially improve survival of patients with previously lethal malignancies, and also improve quality of life because of fewer toxicities. Clearly re...

  6. Ionic and Molecular Liquids

    DEFF Research Database (Denmark)

    Chaban, Vitaly V.; Prezhdo, Oleg

    2013-01-01

    applications of RTILs in combination with molecular liquids, concentrating on three significant areas: (1) the use of molecular liquids to decrease the viscosity of RTILs; (2) the role of RTIL micelle formation in water and organic solvents; and (3) the ability of RTILs to adsorb pollutant gases. Current...

  7. Molecular Stirrers in Action

    NARCIS (Netherlands)

    Chen, Jiawen; Kistemaker, Jos C. M.; Robertus, Jort; Feringa, Ben L.

    2014-01-01

    A series of first-generation light-driven molecular motors with rigid substituents of varying length was synthesized to act as "molecular stirrers". Their rotary motion was studied by H-1 NMR and UV-vis absorption spectroscopy in a variety of solvents with different polarity and viscosity.

  8. Molecular subgroups of medulloblastoma

    OpenAIRE

    Northcott, Paul A; Dubuc, Adrian M; Pfister, Stefan; Taylor, Michael D

    2012-01-01

    Recent efforts at stratifying medulloblastomas based on their molecular features have revolutionized our understanding of this morbidity. Collective efforts by multiple independent groups have subdivided medulloblastoma from a single disease into four distinct molecular subgroups characterized by disparate transcriptional signatures, mutational spectra, copy number profiles and, most importantly, clinical features. We present a summary of recent studies that have contributed to our understand...

  9. Theoretical molecular biophysics

    CERN Document Server

    Scherer, Philipp O J

    2017-01-01

    This book gives an introduction to molecular biophysics. It starts from material properties at equilibrium related to polymers, dielectrics and membranes. Electronic spectra are developed for the understanding of elementary dynamic processes in photosynthesis including proton transfer and dynamics of molecular motors. Since the molecular structures of functional groups of bio-systems were resolved, it has become feasible to develop a theory based on the quantum theory and statistical physics with emphasis on the specifics of the high complexity of bio-systems. This introduction to molecular aspects of the field focuses on solvable models. Elementary biological processes provide as special challenge the presence of partial disorder in the structure which does not destroy the basic reproducibility of the processes. Apparently the elementary molecular processes are organized in a way to optimize the efficiency. Learning from nature by means exploring the relation between structure and function may even help to b...

  10. Molecular Population Genetics.

    Science.gov (United States)

    Casillas, Sònia; Barbadilla, Antonio

    2017-03-01

    Molecular population genetics aims to explain genetic variation and molecular evolution from population genetics principles. The field was born 50 years ago with the first measures of genetic variation in allozyme loci, continued with the nucleotide sequencing era, and is currently in the era of population genomics. During this period, molecular population genetics has been revolutionized by progress in data acquisition and theoretical developments. The conceptual elegance of the neutral theory of molecular evolution or the footprint carved by natural selection on the patterns of genetic variation are two examples of the vast number of inspiring findings of population genetics research. Since the inception of the field, Drosophila has been the prominent model species: molecular variation in populations was first described in Drosophila and most of the population genetics hypotheses were tested in Drosophila species. In this review, we describe the main concepts, methods, and landmarks of molecular population genetics, using the Drosophila model as a reference. We describe the different genetic data sets made available by advances in molecular technologies, and the theoretical developments fostered by these data. Finally, we review the results and new insights provided by the population genomics approach, and conclude by enumerating challenges and new lines of inquiry posed by increasingly large population scale sequence data. Copyright © 2017 Casillas and Barbadilla.

  11. EDITORIAL: Molecular Imaging Technology

    Science.gov (United States)

    Asai, Keisuke; Okamoto, Koji

    2006-06-01

    'Molecular Imaging Technology' focuses on image-based techniques using nanoscale molecules as sensor probes to measure spatial variations of various species (molecular oxygen, singlet oxygen, carbon dioxide, nitric monoxide, etc) and physical properties (pressure, temperature, skin friction, velocity, mechanical stress, etc). This special feature, starting on page 1237, contains selected papers from The International Workshop on Molecular Imaging for Interdisciplinary Research, sponsored by the Ministry of Education, Culture, Sports, Science and Technology (MEXT) in Japan, which was held at the Sendai Mediatheque, Sendai, Japan, on 8 9 November 2004. The workshop was held as a sequel to the MOSAIC International Workshop that was held in Tokyo in 2003, to summarize the outcome of the 'MOSAIC Project', a five-year interdisciplinary project supported by Techno-Infrastructure Program, the Special Coordination Fund for Promotion of Science Technology to develop molecular sensor technology for aero-thermodynamic research. The workshop focused on molecular imaging technology and its applications to interdisciplinary research areas. More than 110 people attended this workshop from various research fields such as aerospace engineering, automotive engineering, radiotechnology, fluid dynamics, bio-science/engineering and medical engineering. The purpose of this workshop is to stimulate intermixing of these interdisciplinary fields for further development of molecular sensor and imaging technology. It is our pleasure to publish the seven papers selected from our workshop as a special feature in Measurement and Science Technology. We will be happy if this issue inspires people to explore the future direction of molecular imaging technology for interdisciplinary research.

  12. Molecularly Imprinted Membranes

    Science.gov (United States)

    Trotta, Francesco; Biasizzo, Miriam; Caldera, Fabrizio

    2012-01-01

    Although the roots of molecularly imprinted polymers lie in the beginning of 1930s in the past century, they have had an exponential growth only 40–50 years later by the works of Wulff and especially by Mosbach. More recently, it was also proved that molecular imprinted membranes (i.e., polymer thin films) that show recognition properties at molecular level of the template molecule are used in their formation. Different procedures and potential application in separation processes and catalysis are reported. The influences of different parameters on the discrimination abilities are also discussed. PMID:24958291

  13. Photoionization and molecular structure

    International Nuclear Information System (INIS)

    Palma, A.

    1983-01-01

    A presentation is here given of the theoretical work on photoionization and molecular structure carried out by the author and coworkers. The implications of the photoionization process on the molecular geometry are emphasized. In particular, the ionization effect on deep orbitals is considered and it is shown that, contrary to traditional thinking, these orbitals have relevant effects on the molecular geometry. The problem of calculating photoionization relative intensities for the full spectrum is also considered, and the results of the present model are compared with experimental and other theoretical results. (author)

  14. Controlling photophysical properties of ultrasmall conjugated polymer nanoparticles through polymer chain packing

    KAUST Repository

    Piwonski, Hubert Marek; Michinobu, Tsuyoshi; Habuchi, Satoshi

    2017-01-01

    of the development of Pdots. Here we demonstrate that proper control of the physical interactions between the chains is as critical as the molecular design. The unique design of twisted CPs and fine-tuning of the reprecipitation conditions allow us to fabricate

  15. Polypeptides Based Molecular Electronics

    National Research Council Canada - National Science Library

    Lam, Yeng M; Mhaisalkar, Subodh; Li, Lain-Jong; Dravid, Vinayak P; Shekhawat, Gajendra S; Suri, Raman

    2008-01-01

    ... the formation of molecular devices such as transistors, diodes, and sensors. We have designed the peptides, arranged them on substrates using self-assembly, Dip-PEN nanolithography, and also e-beam assisted lithography...

  16. Molecular electronic junction transport

    DEFF Research Database (Denmark)

    Solomon, Gemma C.; Herrmann, Carmen; Ratner, Mark

    2012-01-01

    Whenasinglemolecule,oracollectionofmolecules,isplacedbetween two electrodes and voltage is applied, one has a molecular transport junction. We discuss such junctions, their properties, their description, and some of their applications. The discussion is qualitative rather than quantitative, and f...

  17. Atomic and Molecular Interactions

    International Nuclear Information System (INIS)

    2002-01-01

    The Gordon Research Conference (GRC) on Atomic and Molecular Interactions was held at Roger Williams University, Bristol, RI. Emphasis was placed on current unpublished research and discussion of the future target areas in this field

  18. Noncovalent Molecular Electronics.

    Science.gov (United States)

    Gryn'ova, G; Corminboeuf, C

    2018-05-03

    Molecular electronics covers several distinctly different conducting architectures, including organic semiconductors and single-molecule junctions. The noncovalent interactions, abundant in the former, are also often found in the latter, i.e., the dimer junctions. In the present work, we draw the parallel between the two types of noncovalent molecular electronics for a range of π-conjugated heteroaromatic molecules. In silico modeling allows us to distill the factors that arise from the chemical nature of their building blocks and from their mutual arrangement. We find that the same compounds are consistently the worst and the best performers in the two types of electronic assemblies, emphasizing the universal imprint of the underlying chemistry of the molecular cores on their diverse charge transport characteristics. The interplay between molecular and intermolecular factors creates a spectrum of noncovalent conductive architectures, which can be manipulated using the design strategies based upon the established relationships between chemistry and transport.

  19. The Molecular Foundry (TMF)

    Data.gov (United States)

    Federal Laboratory Consortium — Founded in 2006 by the Department of Energy (DOE), the Molecular Foundry is a critical part of the DOE's National Nanotechnology Initiative, a multi-agency framework...

  20. Molecular ion photofragment spectroscopy

    International Nuclear Information System (INIS)

    Bustamente, S.W.

    1983-11-01

    A new molecular ion photofragment spectrometer is described which features a supersonic molecular beam ion source and a radio frequency octapole ion trap interaction region. This unique combination allows several techniques to be applied to the problem of detecting a photon absorption event of a molecular ion. In particular, it may be possible to obtain low resolution survey spectra of exotic molecular ions by using a direct vibrational predissociation process, or by using other more indirect detection methods. The use of the spectrometer is demonstrated by measuring the lifetime of the O 2 + ( 4 π/sub u/) metastable state which is found to consist of two main components: the 4 π/sub 5/2/ and 4 π/sub -1/2/ spin components having a long lifetime (approx. 129 ms) and the 4 π/sub 3/2/ and 4 π/sub 1/2/ spin components having a short lifetime (approx. 6 ms)

  1. Crossed molecular beams

    International Nuclear Information System (INIS)

    Lee, Y.T.

    1976-01-01

    Research activities with crossed molecular beams at Lawrence Berkeley Laboratory during 1976 are described. Topics covered include: scattering of Ar*, Kr*, with Xe; metastable rare gas interactions, He* + H 2 ; an atomic and molecular halogen beam source; a crossed molecular beam study of the Cl + Br 2 → BrCl + Br reaction; O( 3 P) reaction dynamics, development of the high pressure plasma beam source; energy randomization in the Cl + C 2 H 3 Br → Br + C 2 H 3 Cl reaction; high resolution photoionization studies of NO and ICl; photoionization of (H 2 O)/sub n/ and (NH 3 ) 2 ; photoionization mass spectroscopy of NH 3 + and O 3 + ; photo fragmentation of bromine; and construction of chemiluminescence-laser fluorescence crossed molecular beam machine

  2. Molecular Electronic Shift Registers

    Science.gov (United States)

    Beratan, David N.; Onuchic, Jose N.

    1990-01-01

    Molecular-scale shift registers eventually constructed as parts of high-density integrated memory circuits. In principle, variety of organic molecules makes possible large number of different configurations and modes of operation for such shift-register devices. Several classes of devices and implementations in some specific types of molecules proposed. All based on transfer of electrons or holes along chains of repeating molecular units.

  3. Molecular imaging in oncology

    Energy Technology Data Exchange (ETDEWEB)

    Schober, Otmar; Riemann, Burkhard (eds.) [Universitaetsklinikum Muenster (Germany). Klinik fuer Nuklearmedizin

    2013-02-01

    Considers in detail all aspects of molecular imaging in oncology, ranging from basic research to clinical applications in the era of evidence-based medicine. Examines technological issues and probe design. Discusses preclinical studies in detail, with particular attention to multimodality imaging. Presents current clinical use of PET/CT, SPECT/CT, and optical imagingWritten by acknowledged experts. The impact of molecular imaging on diagnostics, therapy, and follow-up in oncology is increasing significantly. The process of molecular imaging includes key biotarget identification, design of specific molecular imaging probes, and their preclinical evaluation, e.g., in vivo using small animal studies. A multitude of such innovative molecular imaging probes have already entered clinical diagnostics in oncology. There is no doubt that in future the emphasis will be on multimodality imaging in which morphological, functional, and molecular imaging techniques are combined in a single clinical investigation that will optimize diagnostic processes. This handbook addresses all aspects of molecular imaging in oncology, ranging from basic research to clinical applications in the era of evidence-based medicine. The first section is devoted to technology and probe design, and examines a variety of PET and SPECT tracers as well as multimodality probes. Preclinical studies are then discussed in detail, with particular attention to multimodality imaging. In the third section, diverse clinical applications are presented, and the book closes by looking at future challenges. This handbook will be of value to all who are interested in the revolution in diagnostic oncology that is being brought about by molecular imaging.

  4. Human papillomavirus molecular biology.

    Science.gov (United States)

    Harden, Mallory E; Munger, Karl

    Human papillomaviruses are small DNA viruses with a tropism for squamous epithelia. A unique aspect of human papillomavirus molecular biology involves dependence on the differentiation status of the host epithelial cell to complete the viral lifecycle. A small group of these viruses are the etiologic agents of several types of human cancers, including oral and anogenital tract carcinomas. This review focuses on the basic molecular biology of human papillomaviruses. Copyright © 2016 Elsevier B.V. All rights reserved.

  5. Molecular imaging in oncology

    International Nuclear Information System (INIS)

    Schober, Otmar; Riemann, Burkhard

    2013-01-01

    Considers in detail all aspects of molecular imaging in oncology, ranging from basic research to clinical applications in the era of evidence-based medicine. Examines technological issues and probe design. Discusses preclinical studies in detail, with particular attention to multimodality imaging. Presents current clinical use of PET/CT, SPECT/CT, and optical imagingWritten by acknowledged experts. The impact of molecular imaging on diagnostics, therapy, and follow-up in oncology is increasing significantly. The process of molecular imaging includes key biotarget identification, design of specific molecular imaging probes, and their preclinical evaluation, e.g., in vivo using small animal studies. A multitude of such innovative molecular imaging probes have already entered clinical diagnostics in oncology. There is no doubt that in future the emphasis will be on multimodality imaging in which morphological, functional, and molecular imaging techniques are combined in a single clinical investigation that will optimize diagnostic processes. This handbook addresses all aspects of molecular imaging in oncology, ranging from basic research to clinical applications in the era of evidence-based medicine. The first section is devoted to technology and probe design, and examines a variety of PET and SPECT tracers as well as multimodality probes. Preclinical studies are then discussed in detail, with particular attention to multimodality imaging. In the third section, diverse clinical applications are presented, and the book closes by looking at future challenges. This handbook will be of value to all who are interested in the revolution in diagnostic oncology that is being brought about by molecular imaging.

  6. Nanoplatform-based molecular imaging

    National Research Council Canada - National Science Library

    Chen, Xiaoyuan

    2011-01-01

    "Nanoplathform-Based Molecular Imaging provides rationale for using nanoparticle-based probes for molecular imaging, then discusses general strategies for this underutilized, yet promising, technology...

  7. Cardiovascular Molecular Imaging

    International Nuclear Information System (INIS)

    Lee, Kyung Han

    2009-01-01

    Molecular imaging strives to visualize processes in living subjects at the molecular level. Monitoring biochemical processes at this level will allow us to directly track biological processes and signaling events that lead to pathophysiological abnormalities, and help make personalized medicine a reality by allowing evaluation of therapeutic efficacies on an individual basis. Although most molecular imaging techniques emerged from the field of oncology, they have now gradually gained acceptance by the cardiovascular community. Hence, the availability of dedicated high-resolution small animal imaging systems and specific targeting imaging probes is now enhancing our understanding of cardiovascular diseases and expediting the development of newer therapies. Examples include imaging approaches to evaluate and track the progress of recent genetic and cellular therapies for treatment of myocardial ischemia. Other areas include in vivo monitoring of such key molecular processes as angiogenesis and apoptosis. Cardiovascular molecular imaging is already an important research tool in preclinical experiments. The challenge that lies ahead is to implement these techniques into the clinics so that they may help fulfill the promise of molecular therapies and personalized medicine, as well as to resolve disappointments and controversies surrounding the field

  8. Molecular toxicity of nanomaterials.

    Science.gov (United States)

    Chang, Xue-Ling; Yang, Sheng-Tao; Xing, Gengmei

    2014-10-01

    With the rapid developments in the fields of nanoscience and nanotechnlogy, more and more nanomaterials and their based consumer products have been used into our daily life. The safety concerns of nanomaterials have been well recognized by the scientific community and the public. Molecular mechanism of interactions between nanomaterials and biosystems is the most essential topic and final core of the biosafety. In the last two decades, nanotoxicology developed very fast and toxicity phenomena of nanomaterials have been reported. To achieve better understanding and detoxication of nanomaterials, thorough studies of nanotoxicity at molecular level are important. The interactions between nanomaterials and biomolecules have been widely investigated as the first step toward the molecular nanotoxicology. The consequences of such interactions have been discussed in the literature. Besides this, the chemical mechanism of nanotoxicology is gaining more attention, which would lead to a better design of nontoxic nanomaterials. In this review, we focus on the molecular nanotoxicology and explore the toxicity of nanomaterials at molecular level. The molecular level studies of nanotoxicology are summarized and the published nanotoxicological data are revisited.

  9. Nanotechnology Review: Molecular Electronics to Molecular Motors

    Science.gov (United States)

    Srivastava, Deepak; Saini, Subhash (Technical Monitor)

    1998-01-01

    Reviewing the status of current approaches and future projections, as already published in scientific journals and books, the talk will summarize the direction in which computational and experimental nanotechnologies are progressing. Examples of nanotechnological approaches to the concepts of design and simulation of carbon nanotube based molecular electronic and mechanical devices will be presented. The concepts of nanotube based gears and motors will be discussed. The above is a non-technical review talk which covers long term precompetitive basic research in already published material that has been presented before many US scientific meeting audiences.

  10. Molecular dewetting on insulators

    International Nuclear Information System (INIS)

    Burke, S A; Topple, J M; Gruetter, P

    2009-01-01

    Recent attention given to the growth and morphology of organic thin films with regard to organic electronics has led to the observation of dewetting (a transition from layer(s) to islands) of molecular deposits in many of these systems. Dewetting is a much studied phenomenon in the formation of polymer and liquid films, but its observation in thin films of the 'small' molecules typical of organic electronics requires additional consideration of the structure of the interface between the molecular film and the substrate. This review covers some key concepts related to dewetting and molecular film growth. In particular, the origins of different growth modes and the thickness dependent interactions which give rise to dewetting are discussed in terms of surface energies and the disjoining pressure. Characteristics of molecular systems which may lead to these conditions, including the formation of metastable interface structures and commensurate-incommensurate phase transitions, are also discussed. Brief descriptions of some experimental techniques which have been used to study molecular dewetting are given as well. Examples of molecule-on-insulator systems which undergo dewetting are described in some detail, specifically perylene derivatives on alkali halides, C 60 on alkali halides, and the technologically important system of pentacene on SiO 2 . These examples point to some possible predicting factors for the occurrence of dewetting, most importantly the formation of an interface layer which differs from the bulk crystal structure. (topical review)

  11. Molecular dewetting on insulators.

    Science.gov (United States)

    Burke, S A; Topple, J M; Grütter, P

    2009-10-21

    Recent attention given to the growth and morphology of organic thin films with regard to organic electronics has led to the observation of dewetting (a transition from layer(s) to islands) of molecular deposits in many of these systems. Dewetting is a much studied phenomenon in the formation of polymer and liquid films, but its observation in thin films of the 'small' molecules typical of organic electronics requires additional consideration of the structure of the interface between the molecular film and the substrate. This review covers some key concepts related to dewetting and molecular film growth. In particular, the origins of different growth modes and the thickness dependent interactions which give rise to dewetting are discussed in terms of surface energies and the disjoining pressure. Characteristics of molecular systems which may lead to these conditions, including the formation of metastable interface structures and commensurate-incommensurate phase transitions, are also discussed. Brief descriptions of some experimental techniques which have been used to study molecular dewetting are given as well. Examples of molecule-on-insulator systems which undergo dewetting are described in some detail, specifically perylene derivatives on alkali halides, C(60) on alkali halides, and the technologically important system of pentacene on SiO(2). These examples point to some possible predicting factors for the occurrence of dewetting, most importantly the formation of an interface layer which differs from the bulk crystal structure.

  12. Phylogenetic molecular function annotation

    International Nuclear Information System (INIS)

    Engelhardt, Barbara E; Jordan, Michael I; Repo, Susanna T; Brenner, Steven E

    2009-01-01

    It is now easier to discover thousands of protein sequences in a new microbial genome than it is to biochemically characterize the specific activity of a single protein of unknown function. The molecular functions of protein sequences have typically been predicted using homology-based computational methods, which rely on the principle that homologous proteins share a similar function. However, some protein families include groups of proteins with different molecular functions. A phylogenetic approach for predicting molecular function (sometimes called 'phylogenomics') is an effective means to predict protein molecular function. These methods incorporate functional evidence from all members of a family that have functional characterizations using the evolutionary history of the protein family to make robust predictions for the uncharacterized proteins. However, they are often difficult to apply on a genome-wide scale because of the time-consuming step of reconstructing the phylogenies of each protein to be annotated. Our automated approach for function annotation using phylogeny, the SIFTER (Statistical Inference of Function Through Evolutionary Relationships) methodology, uses a statistical graphical model to compute the probabilities of molecular functions for unannotated proteins. Our benchmark tests showed that SIFTER provides accurate functional predictions on various protein families, outperforming other available methods.

  13. Molecular MR imaging

    International Nuclear Information System (INIS)

    Fleige, G.; Hamm, B.

    2000-01-01

    Basic medicobiological research in recent years has made rapid advances in the functional understanding of normal and pathological processes down to the molecular level. At the same time, various imaging modalities have developed from the depiction of organs to approaching the depiction of the cellular level and are about to make the visualization of molecular processes an established procedure. Besides other modalities like PET and near-infrared fluorescence, MR imaging offers some promising options for molecular imaging as well as some applications that have already been tested such as the visualization of enzyme activity, the depiction of the expression of certain genes, the visualization of surface receptors, or the specific demonstration of cells involved in the body's immune response. A major advantage of molecular magnetic resonance imaging (mMRI) over other more sensitive modalities is its high spatial resolution. However, the establishment of mMRI crucially relies on further improvements in resolution and the development of molecular markers for improving its sensitivity and specificity. The state of the art of mMRI is presented by giving a survey of the literature on experimental studies and reporting the results our study group obtained during investigation on gliomas. (orig.) [de

  14. Molecularly targeted therapeutic radiopharmaceuticals

    International Nuclear Information System (INIS)

    Saw, M.M.

    2007-01-01

    Full text: It is generally agreed that current focus of nuclear medicine development should be on molecular imaging and therapy. Though, the widespread use of the terminology 'molecular imaging' is quite recent, nuclear medicine has used molecular imaging techniques for more than 20 years ago. A variety of radiopharmaceuticals have been introduced for the internal therapy of malignant and inflammatory lesions in nuclear medicine. In the field of bio/medical imaging, nuclear medicine is one of the disciplines which has the privilege of organized and well developed chemistry/ pharmacy section; radio-chemistry/radiopharmacy. Fundamental principles have been developed more than 40 years ago and advanced research is going well into postgenomic era. The genomic revolution and dramatically increased insight in the molecular mechanisms underlying pathology have led to paradigm shift in drug development. Likewise does in the nuclear medicine. Here, the author will present current clinical and pre-clinical therapeutic radiopharmaceuticals based on molecular targets such as membrane-bound receptors, enzymes, nucleic acids, sodium iodide symporter, etc, in correlation with fundamentals of radiopharmacy. (author)

  15. Use of additives to fine-tune the composition of carbonate units in the polymer formed by copolymerization of co2 with epoxide: application to the synthesis of polycarbonate-based block copolymers and of telechelics

    KAUST Repository

    Feng, Xiaoshuang

    2016-12-22

    Embodiments of the present disclosure describe a method of making a polycarbonate, comprising contacting one or more cyclic monomers and carbon dioxide in the presence of one or more of a Lewis acid catalyst, an initiator, and an ionic liquid; and agitating, sufficient to copolymerize the one or more cyclic monomers and carbon dioxide to create a polycarbonate. Embodiments of the present disclosure further describe a method of controlling a polymer composition, comprising contacting one or more cyclic monomers and carbon dioxide; adjusting an amount of one or more of a Lewis acid catalyst, an ionic liquid, and an initiator in the presence of the one or more cyclic monomers and carbon dioxide, sufficient to selectively modify a resulting polycarbonate; and agitating, sufficient to copolymerize the one or more cyclic monomers and carbon dioxide to create the polycarbonate.

  16. Meer proeven nodig om effect van hogere F-scatterwaarde te achterhalen : diffuus glas komt in de fase van fine-tuning (interview met Silke Hemming en Tom Dueck)

    OpenAIRE

    Kierkels, T.; Hemming, S.; Dueck, T.A.

    2014-01-01

    Diffuus glas is over vijftien jaar de standaard. Wie nu nieuw bouwt, heeft veel goede redenen om voor diffuus te kiezen en vrijwel geen om het te laten, zeggen Silke Hemming en Tom Dueck van Wageningen UR Glastuinbouw. De inzichten in het nut van diffuus licht én de technische ontwikkelingen schrijden nog elk jaar voort. Een update.

  17. Meer proeven nodig om effect van hogere F-scatterwaarde te achterhalen : diffuus glas komt in de fase van fine-tuning (interview met Silke Hemming en Tom Dueck)

    NARCIS (Netherlands)

    Kierkels, T.; Hemming, S.; Dueck, T.A.

    2014-01-01

    Diffuus glas is over vijftien jaar de standaard. Wie nu nieuw bouwt, heeft veel goede redenen om voor diffuus te kiezen en vrijwel geen om het te laten, zeggen Silke Hemming en Tom Dueck van Wageningen UR Glastuinbouw. De inzichten in het nut van diffuus licht én de technische ontwikkelingen

  18. A triple-bridged azido-Cu(II) chain compound fine-tuned by mixed carboxylate/ethanol linkers displays slow-relaxation and ferromagnetic order: synthesis, crystal structure, magnetic properties and DFT calculations.

    Science.gov (United States)

    Liu, Xiangyu; Chen, Sanping; Grancha, Thais; Pardo, Emilio; Ke, Hongshan; Yin, Bing; Wei, Qing; Xie, Gang; Gao, Shengli

    2014-11-07

    A new azido-Cu(II) compound, [Cu(4-fba)(N3)(C2H5OH)] (4-fba = 4-fluorobenzoic acid) (1), has been synthesized and characterized. The X-ray crystal structure analysis demonstrates that only one crystallographically independent Cu(II) ion in the asymmetric unit of 1 exhibits a stretched octahedral geometry in which two azido N atoms and two carboxylic O atoms locate in the equatorial square, while two ethanol O atoms occupy the apical positions, forming a 1D Cu(II) chain with an alternating triple-bridge of EO-azido, syn,syn-carboxylate, and μ2-ethanol. The title compound consists of ferromagnetically interacting ferromagnetic chains, which exhibit ferromagnetic order (T(c) = 7.0 K). The strong ferromagnetic coupling between adjacent Cu(II) ions within each chain is due to the countercomplementarity of the super-exchange pathways, whereas the ferromagnetic interchain interactions--responsible for the long-range magnetic ordering--are most likely due to the presence of coordinated ethanol molecules establishing hydrogen bonds with neighboring chains. DFT calculations have been performed on compound 1 to offer a qualitative theoretical explanation of the magnetic behavior.

  19. Use of additives to fine-tune the composition of carbonate units in the polymer formed by copolymerization of co2 with epoxide: application to the synthesis of polycarbonate-based block copolymers and of telechelics

    KAUST Repository

    Feng, Xiaoshuang; Zhang, Dongyue; Gnanou, Yves; Hadjichristidis, Nikolaos

    2016-01-01

    Embodiments of the present disclosure describe a method of making a polycarbonate, comprising contacting one or more cyclic monomers and carbon dioxide in the presence of one or more of a Lewis acid catalyst, an initiator, and an ionic liquid; and agitating, sufficient to copolymerize the one or more cyclic monomers and carbon dioxide to create a polycarbonate. Embodiments of the present disclosure further describe a method of controlling a polymer composition, comprising contacting one or more cyclic monomers and carbon dioxide; adjusting an amount of one or more of a Lewis acid catalyst, an ionic liquid, and an initiator in the presence of the one or more cyclic monomers and carbon dioxide, sufficient to selectively modify a resulting polycarbonate; and agitating, sufficient to copolymerize the one or more cyclic monomers and carbon dioxide to create the polycarbonate.

  20. Fine-tuning synthesis of Yersinia pestis LcrV from runaway-like replication balanced-lethal plasmid in a Salmonella enterica serovar typhimurium vaccine induces protection against a lethal Y. pestis challenge in mice.

    Science.gov (United States)

    Torres-Escobar, Ascención; Juárez-Rodríguez, María Dolores; Gunn, Bronwyn M; Branger, Christine G; Tinge, Steven A; Curtiss, Roy

    2010-06-01

    A balanced-lethal plasmid expression system that switches from low-copy-number to runaway-like high-copy-number replication (pYA4534) was constructed for the regulated delayed in vivo synthesis of heterologous antigens by vaccine strains. This is an antibiotic resistance-free maintenance system containing the asdA gene (essential for peptidoglycan synthesis) as a selectable marker to complement the lethal chromosomal DeltaasdA allele in live recombinant attenuated Salmonella vaccines (RASVs) such as Salmonella enterica serovar Typhimurium strain chi9447. pYA4534 harbors two origins of replication, pSC101 and pUC (low and high copy numbers, respectively). The pUC replication origin is controlled by a genetic switch formed by the operator/promoter of the P22 cro gene (O/P(cro)) (P(R)), which is negatively regulated by an arabinose-inducible P22 c2 gene located on both the plasmid and the chromosome (araC P(BAD) c2). The absence of arabinose, which is unavailable in vivo, triggers replication to a high-copy-number plasmid state. To validate these vector attributes, the Yersinia pestis virulence antigen LcrV was used to develop a vaccine against plague. An lcrV sequence encoding amino acids 131 to 326 (LcrV196) was optimized for expression in Salmonella, flanked with nucleotide sequences encoding the signal peptide (SS) and the carboxy-terminal domain (CT) of beta-lactamase, and cloned into pYA4534 under the control of the P(trc) promoter to generate plasmid pYA4535. Our results indicate that the live Salmonella vaccine strain chi9447 harboring pYA4535 efficiently stimulated a mixed Th1/Th2 immune response that protected mice against lethal challenge with Y. pestis strain CO92 introduced through either the intranasal or subcutaneous route.

  1. Fine-Tuning Synthesis of Yersinia pestis LcrV from Runaway-Like Replication Balanced-Lethal Plasmid in a Salmonella enterica Serovar Typhimurium Vaccine Induces Protection against a Lethal Y. pestis Challenge in Mice▿

    Science.gov (United States)

    Torres-Escobar, Ascención; Juárez-Rodríguez, María Dolores; Gunn, Bronwyn M.; Branger, Christine G.; Tinge, Steven A.; Curtiss, Roy

    2010-01-01

    A balanced-lethal plasmid expression system that switches from low-copy-number to runaway-like high-copy-number replication (pYA4534) was constructed for the regulated delayed in vivo synthesis of heterologous antigens by vaccine strains. This is an antibiotic resistance-free maintenance system containing the asdA gene (essential for peptidoglycan synthesis) as a selectable marker to complement the lethal chromosomal ΔasdA allele in live recombinant attenuated Salmonella vaccines (RASVs) such as Salmonella enterica serovar Typhimurium strain χ9447. pYA4534 harbors two origins of replication, pSC101 and pUC (low and high copy numbers, respectively). The pUC replication origin is controlled by a genetic switch formed by the operator/promoter of the P22 cro gene (O/Pcro) (PR), which is negatively regulated by an arabinose-inducible P22 c2 gene located on both the plasmid and the chromosome (araC PBAD c2). The absence of arabinose, which is unavailable in vivo, triggers replication to a high-copy-number plasmid state. To validate these vector attributes, the Yersinia pestis virulence antigen LcrV was used to develop a vaccine against plague. An lcrV sequence encoding amino acids 131 to 326 (LcrV196) was optimized for expression in Salmonella, flanked with nucleotide sequences encoding the signal peptide (SS) and the carboxy-terminal domain (CT) of β-lactamase, and cloned into pYA4534 under the control of the Ptrc promoter to generate plasmid pYA4535. Our results indicate that the live Salmonella vaccine strain χ9447 harboring pYA4535 efficiently stimulated a mixed Th1/Th2 immune response that protected mice against lethal challenge with Y. pestis strain CO92 introduced through either the intranasal or subcutaneous route. PMID:20308296

  2. Evolutionary molecular medicine.

    Science.gov (United States)

    Nesse, Randolph M; Ganten, Detlev; Gregory, T Ryan; Omenn, Gilbert S

    2012-05-01

    Evolution has long provided a foundation for population genetics, but some major advances in evolutionary biology from the twentieth century that provide foundations for evolutionary medicine are only now being applied in molecular medicine. They include the need for both proximate and evolutionary explanations, kin selection, evolutionary models for cooperation, competition between alleles, co-evolution, and new strategies for tracing phylogenies and identifying signals of selection. Recent advances in genomics are transforming evolutionary biology in ways that create even more opportunities for progress at its interfaces with genetics, medicine, and public health. This article reviews 15 evolutionary principles and their applications in molecular medicine in hopes that readers will use them and related principles to speed the development of evolutionary molecular medicine.

  3. [Molecular techniques in mycology].

    Science.gov (United States)

    Rodríguez-Tudela, Juan Luis; Cuesta, Isabel; Gómez-López, Alicia; Alastruey-Izquierdo, Ana; Bernal-Martínez, Leticia; Cuenca-Estrella, Manuel

    2008-11-01

    An increasing number of molecular techniques for the diagnosis of fungal infections have been developed in the last few years, due to the growing prevalence of mycoses and the length of time required for diagnosis when classical microbiological methods are used. These methods are designed to resolve the following aspects of mycological diagnosis: a) Identification of fungi to species level by means of sequencing relevant taxonomic targets; b) early clinical diagnosis of invasive fungal infections; c) detection of molecular mechanisms of resistance to antifungal agents; and d) molecular typing of fungi. Currently, these methods are restricted to highly developed laboratories. However, some of these techniques will probably be available in daily clinical practice in the near future.

  4. Theoretical Molecular Biophysics

    CERN Document Server

    Scherer, Philipp

    2010-01-01

    "Theoretical Molecular Biophysics" is an advanced study book for students, shortly before or after completing undergraduate studies, in physics, chemistry or biology. It provides the tools for an understanding of elementary processes in biology, such as photosynthesis on a molecular level. A basic knowledge in mechanics, electrostatics, quantum theory and statistical physics is desirable. The reader will be exposed to basic concepts in modern biophysics such as entropic forces, phase separation, potentials of mean force, proton and electron transfer, heterogeneous reactions coherent and incoherent energy transfer as well as molecular motors. Basic concepts such as phase transitions of biopolymers, electrostatics, protonation equilibria, ion transport, radiationless transitions as well as energy- and electron transfer are discussed within the frame of simple models.

  5. Molecular Diagnosis of Tuberculosis.

    Science.gov (United States)

    Nurwidya, Fariz; Handayani, Diah; Burhan, Erlina; Yunus, Faisal

    2018-01-01

    Tuberculosis (TB) is one of the leading causes of adult death in the Asia-Pacific Region, including Indonesia. As an infectious disease caused by Mycobacterium tuberculosis (MTB), TB remains a major public health issue especially in developing nations due to the lack of adequate diagnostic testing facilities. Diagnosis of TB has entered an era of molecular detection that provides faster and more cost-effective methods to diagnose and confirm drug resistance in TB cases, meanwhile, diagnosis by conventional culture systems requires several weeks. New advances in the molecular detection of TB, including the faster and simpler nucleic acid amplification test (NAAT) and whole-genome sequencing (WGS), have resulted in a shorter time for diagnosis and, therefore, faster TB treatments. In this review, we explored the current findings on molecular diagnosis of TB and drug-resistant TB to see how this advancement could be integrated into public health systems in order to control TB.

  6. Multilayered proteomics reveals molecular switches dictating ligand-dependent EGFR trafficking

    DEFF Research Database (Denmark)

    Francavilla, Chiara; Papetti, Moreno; Rigbolt, Kristoffer T G

    2016-01-01

    , we devised an integrated multilayered proteomics approach (IMPA). We analyzed dynamic changes in the receptor interactome, ubiquitinome, phosphoproteome, and late proteome in response to both ligands in human cells by quantitative MS and identified 67 proteins regulated at multiple levels. We...... identified RAB7 phosphorylation and RCP recruitment to EGFR as switches for EGF and TGF-α outputs, controlling receptor trafficking, signaling duration, proliferation, and migration. By manipulating RCP levels or phosphorylation of RAB7 in EGFR-positive cancer cells, we were able to switch a TGF......-α-mediated response to an EGF-like response or vice versa as EGFR trafficking was rerouted. We propose IMPA as an approach to uncover fine-tuned regulatory mechanisms in cell signaling....

  7. Molecular Mechanisms of Adaptation of the Moderately Halophilic Bacterium Halobacillis halophilus to Its Environment

    Directory of Open Access Journals (Sweden)

    Inga Hänelt

    2013-02-01

    Full Text Available The capability of osmoadaptation is a prerequisite of organisms that live in an environment with changing salinities. Halobacillus halophilus is a moderately halophilic bacterium that grows between 0.4 and 3 M NaCl by accumulating both chloride and compatible solutes as osmolytes. Chloride is absolutely essential for growth and, moreover, was shown to modulate gene expression and activity of enzymes involved in osmoadaptation. The synthesis of different compatible solutes is strictly salinity- and growth phase-dependent. This unique hybrid strategy of H. halophilus will be reviewed here taking into account the recently published genome sequence. Based on identified genes we will speculate about possible scenarios of the synthesis of compatible solutes and the uptake of potassium ion which would complete our knowledge of the fine-tuned osmoregulation and intracellular osmolyte balance in H. halophilus.

  8. Synergetics of molecular systems

    CERN Document Server

    Lupichev, Lev N; Kadantsev, Vasiliy N

    2014-01-01

    Synergetics is the quantitative study of multicomponent systems that exhibit nonlinear dynamics and cooperativity. This book specifically considers basic models of the nonlinear dynamics of molecular systems and discusses relevant applications in biological physics and the polymer sciences.Emphasis is placed on specific solutions to the dynamical equations that correspond to the coherent formation of spatial-temporal structures, such as solitons, kinks and breathers, in particular. The emergence of these patterns in molecular structures provides a variety of information on their structural pro

  9. Molecular environmental geochemistry

    Science.gov (United States)

    O'Day, Peggy A.

    1999-05-01

    The chemistry, mobility, and bioavailability of contaminant species in the natural environment are controlled by reactions that occur in and among solid, aqueous, and gas phases. These reactions are varied and complex, involving changes in chemical form and mass transfer among inorganic, organic, and biochemical species. The field of molecular environmental geochemistry seeks to apply spectroscopic and microscopic probes to the mechanistic understanding of environmentally relevant chemical processes, particularly those involving contaminants and Earth materials. In general, empirical geochemical models have been shown to lack uniqueness and adequate predictive capability, even in relatively simple systems. Molecular geochemical tools, when coupled with macroscopic measurements, can provide the level of chemical detail required for the credible extrapolation of contaminant reactivity and bioavailability over ranges of temperature, pressure, and composition. This review focuses on recent advances in the understanding of molecular chemistry and reaction mechanisms at mineral surfaces and mineral-fluid interfaces spurred by the application of new spectroscopies and microscopies. These methods, such as synchrotron X-ray absorption and scattering techniques, vibrational and resonance spectroscopies, and scanning probe microscopies, provide direct chemical information that can elucidate molecular mechanisms, including element speciation, ligand coordination and oxidation state, structural arrangement and crystallinity on different scales, and physical morphology and topography of surfaces. Nonvacuum techniques that allow examination of reactions in situ (i.e., with water or fluids present) and in real time provide direct links between molecular structure and reactivity and measurements of kinetic rates or thermodynamic properties. Applications of these diverse probes to laboratory model systems have provided fundamental insight into inorganic and organic reactions at

  10. Molecular cardiovascular imaging

    International Nuclear Information System (INIS)

    Schaefers, M.

    2007-01-01

    Although huge and long-lasting research efforts have been spent on the development of new diagnostic techniques investigating cardiovascular diseases, still fundamental challenges exist; the main challenge being the diagnosis of a suspected or known coronary artery disease or its consequences (myocardial infarction, heart failure etc.). Beside morphological techniques, functional imaging modalities are available in clinical diagnostic algorithms, whereas molecular cardiovascular imaging techniques are still under development. This review summarizes clinical-diagnostical challenges of modern cardiovascular medicine as well as the potential of new molecular imaging techniques to face these. (orig.)

  11. Targeted molecular imaging

    International Nuclear Information System (INIS)

    Kim, E. Edmund

    2003-01-01

    Molecular imaging aims to visualize the cellular and molecular processes occurring in living tissues, and for the imaging of specific molecules in vivo, the development of reporter probes and dedicated imaging equipment is most important. Reporter genes can be used to monitor the delivery and magnitude of therapeutic gene transfer, and the time variation involved. Imaging technologies such as micro-PET, SPECT, MRI and CT, as well as optical imaging systems, are able to non-invasively detect, measure, and report the simultaneous expression of multiple meaningful genes. It is believed that recent advances in reporter probes, imaging technologies and gene transfer strategies will enhance the effectiveness of gene therapy trials

  12. Substructured multibody molecular dynamics.

    Energy Technology Data Exchange (ETDEWEB)

    Grest, Gary Stephen; Stevens, Mark Jackson; Plimpton, Steven James; Woolf, Thomas B. (Johns Hopkins University, Baltimore, MD); Lehoucq, Richard B.; Crozier, Paul Stewart; Ismail, Ahmed E.; Mukherjee, Rudranarayan M. (Rensselaer Polytechnic Institute, Troy, NY); Draganescu, Andrei I.

    2006-11-01

    We have enhanced our parallel molecular dynamics (MD) simulation software LAMMPS (Large-scale Atomic/Molecular Massively Parallel Simulator, lammps.sandia.gov) to include many new features for accelerated simulation including articulated rigid body dynamics via coupling to the Rensselaer Polytechnic Institute code POEMS (Parallelizable Open-source Efficient Multibody Software). We use new features of the LAMMPS software package to investigate rhodopsin photoisomerization, and water model surface tension and capillary waves at the vapor-liquid interface. Finally, we motivate the recipes of MD for practitioners and researchers in numerical analysis and computational mechanics.

  13. Open source molecular modeling.

    Science.gov (United States)

    Pirhadi, Somayeh; Sunseri, Jocelyn; Koes, David Ryan

    2016-09-01

    The success of molecular modeling and computational chemistry efforts are, by definition, dependent on quality software applications. Open source software development provides many advantages to users of modeling applications, not the least of which is that the software is free and completely extendable. In this review we categorize, enumerate, and describe available open source software packages for molecular modeling and computational chemistry. An updated online version of this catalog can be found at https://opensourcemolecularmodeling.github.io. Copyright © 2016 The Author(s). Published by Elsevier Inc. All rights reserved.

  14. Molecular epidemiology of Blastocystis

    Directory of Open Access Journals (Sweden)

    Fadime Eroğlu

    2015-12-01

    Full Text Available Blastocystis pathogenicity and classification was newly illuminated with molecular genetic studies and recently the parasite was found in the focus of many researchers. Several molecular methods such as; polymerase chain reaction (PCR, PCR-restriction fragment length polymorphism, random amplified polymorphic DNA, real-time polymerase chain reaction and DNA sequencing analyses can be used in genotyping of Blastocystis. Blastocystis parasites may cause diarrhea, abdominal pain, bloating, gas, irritability, anorexia, cramps, vomiting, dehydration, insomnia, nausea, loss of appetite, weight loss, fatigue symptoms and also could be asymptomatic cases. In this review, it was aimed to summarize the associations between Blastocystis subtypes and pathogenicity.

  15. Valency and molecular structure

    CERN Document Server

    Cartmell, E

    1977-01-01

    Valency and Molecular Structure, Fourth Edition provides a comprehensive historical background and experimental foundations of theories and methods relating to valency and molecular structures. In this edition, the chapter on Bohr theory has been removed while some sections, such as structures of crystalline solids, have been expanded. Details of structures have also been revised and extended using the best available values for bond lengths and bond angles. Recent developments are mostly noted in the chapter on complex compounds, while a new chapter has been added to serve as an introduction t

  16. Ionic and Molecular Liquids

    DEFF Research Database (Denmark)

    Chaban, Vitaly V.; Prezhdo, Oleg

    2013-01-01

    Because of their outstanding versatility, room-temperature ionic liquids (RTILs) are utilized in an ever increasing number of novel and fascinating applications, making them the Holy Grail of modern materials science. In this Perspective, we address the fundamental research and prospective...... applications of RTILs in combination with molecular liquids, concentrating on three significant areas: (1) the use of molecular liquids to decrease the viscosity of RTILs; (2) the role of RTIL micelle formation in water and organic solvents; and (3) the ability of RTILs to adsorb pollutant gases. Current...

  17. Molecular confocal laser endomicroscopy

    DEFF Research Database (Denmark)

    Karstensen, John Gásdal; Klausen, Pia Helene; Saftoiu, Adrian

    2014-01-01

    While flexible endoscopy is essential for macroscopic evaluation, confocal laser endomicroscopy (CLE) has recently emerged as an endoscopic method enabling visualization at a cellular level. Two systems are currently available, one based on miniprobes that can be inserted via a conventional...... during on-going endoscopy), a novel world of molecular evaluation opens up. The method of molecular CLE could potentially be used for estimating the expression of important receptors in carcinomas, subsequently resulting in immediate individualization of treatment regimens, but also for improving...

  18. Molecular theory of capillarity

    CERN Document Server

    Rowlinson, J S

    2002-01-01

    History of thought on molecular origins of surface phenomena offers a critical and detailed examination and assessment of modern theories, focusing on statistical mechanics and application of results in mean-field approximation to model systems. Emphasis on liquid-gas surface, with a focus on liquid-liquid surfaces in the final chapters. 1989 edition.

  19. Reviews: The Molecular Animator.

    Science.gov (United States)

    Journal of Chemical Education, 1987

    1987-01-01

    Provided is a review of a chemical software package. The package makes possible an instructional technique that is not effective by any other means, namely the ability to view molecular shapes in three dimensions. The program can be used with either IBM or Apple hardware. (RH)

  20. [Towards a molecular psychiatry].

    Science.gov (United States)

    de la Fuente, J R

    1988-06-01

    Recent research data from psychopharmacology, brain imaging and molecular genetics support the notion of a new psychiatric frontier: that of molecular psychiatry. Identification of different subtypes of neurotransmitter receptors and their changes in density and sensitivity in response to endogenous ligands and/or psychotropic drugs may account for the clinical expression of various behavioral phenomena, including some psychiatric disorders. Brain imaging, in particular positron-emission tomographic evaluations, are likely to change psychiatric nosology. New diagnostic elements derived from these scanners will allow to associate psychotic states to neuroreceptor changes. Molecular genetics has shown that bipolar affective disorder can be caused by a single gene. A strong linkage seems to exist between a gene locus on chromosome 11 and bipolar illness. An amyloid gene located on chromosome 21 has also been shown to be strongly related to familial Alzheimer's disease. While genetic heterogeneity limits the screening value of these findings, the powerful techniques of molecular biology have entered the field of psychiatry. Ethical issues regarding DNA immortality, gene cloning and gene therapy will strengthen this relationship.

  1. Molecular studies of achondroplasia

    Directory of Open Access Journals (Sweden)

    Nahar Risha

    2009-01-01

    Full Text Available Background: Achondroplasia (ACH is the most frequent form of short-limbed dwarfi sm, caused by mutations in the FGFR3 gene. It follows an autosomal dominant inheritance, though most cases are sporadic. The molecular techniques are the only available methods to confi rm the diagnosis of a skeletal dysplasia. Clinical and radiological features are only suggestive and not confi rmatory. The present study was conducted to fi nd out how often the clinical diagnosis of achondroplasia is verifi ed on molecular studies. Materials and Methods: From 1998 through 2007, we carried out molecular analysis for the two common mutations in the FGFR3 gene in 130 cases clinically suspected to have ACH. Results: A diagnostic mutation was identifi ed in 53 (40.8% cases. The common mutation (1138G>A was present in 50 (94.7% of the positive cases, while the rare 1138 G>C substitution was found in three (5.3%. Conclusion: This study shows that confi rmation of clinical diagnosis of ACH by molecular genetic testing is essential to distinguish it from other skeletal dysplasias, to plan therapeutic options, and to offer genetic counseling. Management (medical and surgical in patients confi rmed to have ACH, is briefl y discussed.

  2. Molecular diagnosis and immunotherapy.

    Science.gov (United States)

    Sastre, Joaquín; Sastre-Ibañez, Marina

    2016-12-01

    To describe recent insights into how molecular diagnosis can improve indication and selection of suitable allergens for specific immunotherapy and increase the safety of this therapy. As specific allergen immunotherapy targets specific allergens, identification of the disease-eliciting allergen is a prerequisite for accurate prescription of treatment. In areas of complex sensitization to aeroallergens or in cases of hymenoptera venom allergy, the use of molecular diagnosis has demonstrated that it may lead to a change in indication and selection of allergens for immunotherapy in a large proportion of patients when compared with diagnosis based on skin prick testing and/or specific IgE determination with commercial extracts. These changes in immunotherapy prescription aided by molecular diagnosis have been demonstrated to be cost-effective in some scenarios. Certain patterns of sensitization to grass or olive pollen and bee allergens may identify patients with higher risk of adverse reaction during immunotherapy. Molecular diagnosis, when used with other tools and patients' clinical records, can help clinicians better to select the most appropriate patients and allergens for specific immunotherapy and, in some cases, predict the risk of adverse reactions. The pattern of sensitization to allergens could potentially predict the efficacy of allergen immunotherapy provided that these immunotherapy products contain a sufficient amount of these allergens. Nevertheless, multiplex assay remains a third-level approach, not to be used as screening method in current practice.

  3. Isotopes in molecular biology

    International Nuclear Information System (INIS)

    Goldfarb, P.S.G.

    1988-01-01

    The use of radioisotopes in molecular biology, with particular reference to the structure and functions of DNA, RNA and the cellular synthesis of proteins, is discussed. The use of labelled DNA and RNA in diagnostic techniques is presented. (U.K.)

  4. Biophysics of molecular gastronomy.

    Science.gov (United States)

    Brenner, Michael P; Sörensen, Pia M

    2015-03-26

    Chefs and scientists exploring biophysical processes have given rise to molecular gastronomy. In this Commentary, we describe how a scientific understanding of recipes and techniques facilitates the development of new textures and expands the flavor palette. The new dishes that result engage our senses in unexpected ways. PAPERCLIP. Copyright © 2015 Elsevier Inc. All rights reserved.

  5. Molecular gastronomy in Spain

    DEFF Research Database (Denmark)

    García-Segovia, P.; Garrido, M. D.; Vercet, A.

    2014-01-01

    Beyond the overwhelming international success of Ferrán Adria, Spain has been one of the countries with a more active implication in molecular gastronomy as a scientific discipline but also in the use of ingredients, technologies, and equipment from the scientific and technological universe...... with scientists for facing the future of Spanish gastronomy....

  6. Molecular Mechanisms of Preeclampsia

    Directory of Open Access Journals (Sweden)

    N. Vitoratos

    2012-01-01

    Full Text Available Preeclampsia is one of the leading causes of maternal morbidity/mortality. The pathogenesis of preeclampsia is still under investigation. The aim of this paper is to present the molecular mechanisms implicating in the pathway leading to preeclampsia.

  7. Molecular MR Imaging Probes

    OpenAIRE

    MAHMOOD, UMAR; JOSEPHSON, LEE

    2005-01-01

    Magnetic resonance imaging (MRI) has been successfully applied to many of the applications of molecular imaging. This review discusses by example some of the advances in areas such as multimodality MR-optical agents, receptor imaging, apoptosis imaging, angiogenesis imaging, noninvasive cell tracking, and imaging of MR marker genes.

  8. Molecular dynamics for fermions

    International Nuclear Information System (INIS)

    Feldmeier, H.; Schnack, J.

    2000-02-01

    The time-dependent variational principle for many-body trial states is used to discuss the relation between the approaches of different molecular dynamics models to describe indistinguishable fermions. Early attempts to include effects of the Pauli principle by means of nonlocal potentials as well as more recent models which work with antisymmetrized many-body states are reviewed under these premises. (orig.)

  9. Nanopatterning by molecular polygons.

    Science.gov (United States)

    Jester, Stefan-S; Sigmund, Eva; Höger, Sigurd

    2011-07-27

    Molecular polygons with three to six sides and binary mixtures thereof form long-range ordered patterns at the TCB/HOPG interface. This includes also the 2D crystallization of pentagons. The results provide an insight into how the symmetry of molecules is translated into periodic structures.

  10. Molecular radio-oncology

    Energy Technology Data Exchange (ETDEWEB)

    Baumann, Michael; Krause, Mechthild; Cordes, Nils (eds.) [Technische Univ. Dresden (Germany). Faculty of Medicine and University Hospital

    2016-07-01

    This book concisely reviews our current understanding of hypoxia, molecular targeting, DNA repair, cancer stem cells, and tumor pathophysiology, while also discussing novel strategies for putting these findings into practice in daily clinical routine. Radiotherapy is an important part of modern multimodal cancer treatment, and the past several years have witnessed not only substantial improvements in radiation techniques and the use of new beam qualities, but also major strides in our understanding of molecular tumor biology and tumor radiation response. Against this backdrop, the book highlights recent efforts to identify reasonable and clinically applicable biomarkers using broad-spectrum tissue microarrays and high-throughput systems biology approaches like genomics and epigenomics. In particular, it describes in detail how such molecular information is now being exploited for diagnostic imaging and imaging throughout treatment using the example of positron emission tomography. By discussing all these issues in the context of modern radiation oncology, the book provides a broad, up-to-date overview of the molecular aspects of radiation oncology that will hopefully foster its further optimization.

  11. Molecular radio-oncology

    International Nuclear Information System (INIS)

    Baumann, Michael; Krause, Mechthild; Cordes, Nils

    2016-01-01

    This book concisely reviews our current understanding of hypoxia, molecular targeting, DNA repair, cancer stem cells, and tumor pathophysiology, while also discussing novel strategies for putting these findings into practice in daily clinical routine. Radiotherapy is an important part of modern multimodal cancer treatment, and the past several years have witnessed not only substantial improvements in radiation techniques and the use of new beam qualities, but also major strides in our understanding of molecular tumor biology and tumor radiation response. Against this backdrop, the book highlights recent efforts to identify reasonable and clinically applicable biomarkers using broad-spectrum tissue microarrays and high-throughput systems biology approaches like genomics and epigenomics. In particular, it describes in detail how such molecular information is now being exploited for diagnostic imaging and imaging throughout treatment using the example of positron emission tomography. By discussing all these issues in the context of modern radiation oncology, the book provides a broad, up-to-date overview of the molecular aspects of radiation oncology that will hopefully foster its further optimization.

  12. Molecular Pathogenesis of Spondyloarthritis

    DEFF Research Database (Denmark)

    Carlsen, Thomas Gelsing

    This dissertation includes a presentation of knowledge on the molecular pathogenesis of spondyloarthritis achieved through a PhD programme at Aalborg University from 1.12.2011 - 1.12.2014. Work was carried out in the Laboratory of Medical Mass Spectrometry, headed by: Professor Svend Birkelund...

  13. Molecular-nuclear transitions

    International Nuclear Information System (INIS)

    Belyaev, V.B.; Miller, M.B.

    2007-01-01

    Full text: The spectra in some light nuclei have one interesting property. For example, in the closed vicinity of some resonance states of such nuclei as 5 He, 8 Be, 18 F, 18 Ne the thresholds exist for two- or three-body decay of those nuclei. Let us consider the lightest of the above nuclei, 5 He. The energy threshold for 5 He > d+t decay is ∼50 keV lower than the energy of 3/2 + state of 5 He nucleus. However, due to a rather large width of this state, ∼70 keV, the nuclear capture of deuterons by tritons in dtm-molecule is highly enhanced in comparison with the process of dd capture in the ddm molecule. The physical reason for the enhancement of the probability of the capture into the resonant state can be associated with a long tail of wave function of the resonant state and, accordingly, with the large value of the overlap integral determining in general the probability of the transition between two systems. Thus, one can expect the enhancement of the molecular-nuclear transitions, and this was indeed observed experimentally for the case of dtm molecule. Now, let us consider some other molecular-nuclear combinations: 18 Ne - H 2 O, 18 F - 17 OH, and 8 Be - 6 LiD molecule. With the high accuracy the energies of the above molecular systems coincide with the energies of the resonant states in the appropriate nuclei. Due to the uncertainty in the experimental nuclear data it is not known at present whether the energies of these thresholds are lower or higher of the corresponding energies of the nuclear resonances. Let us assume that the molecular energy is few keV over the energy of the nuclear resonance. Then, we will deal with a very interesting phenomenon: the molecular-nuclear complex constitutes a two level system, which in some sense is analogous to the two-level atomic system, as in a laser. The crucial difference between this one and the two-level atomic systems consists in a fact that in the molecular-nuclear case no special procedure of pumping up

  14. Molecular imaging in oncology

    International Nuclear Information System (INIS)

    Weber, W.A.

    2007-01-01

    Molecular imaging is generally defined as noninvasive and quantitative imaging of targeted macromolecules and biological processes in living organisms. A characteristic of molecular imaging is the ability to perform repeated studies and assess changes in biological processes over time. Thus molecular imaging lends itself well for monitoring the effectiveness of tumor therapy. In animal models a variety of techniques can be used for molecular imaging. These include optical imaging (bioluminescence and fluorescence imaging), magnetic resonance imaging (MRI) and nuclear medicine techniques. In the clinical setting, however, nuclear medicine techniques predominate, because so far only radioactive tracers provide the necessary sensitivity to study expression and function of macromolecules non-invasively in patients. Nuclear medicine techniques allows to study a variety of biological processes in patients. These include the expression of various receptors (estrogen, androgen, somatostatin receptors and integrins). In addition, tracers are available to study tumor cell proliferation and hypoxia. The by far most commonly used molecular imaging technique in oncology is, however, positron emission tomography (PET) with the glucose analog [ 18 F]fluorodeoxyglucose (FDG-PET). FDG-PET permits non-invasive quantitative assessment of the accelerated exogenous glucose use of malignant tumors. Numerous studies have now shown that reduction of tumor FDG-uptake during therapy allows early prediction of tumor response and patient survival. Clinical studies are currently underway to determine whether FDG-PET can be used to individualize tumor therapy by signaling early in the course of therapy the need for therapeutic adjustments in patients with likely non-responding tumors. (orig.)

  15. Conformation analysis of trehalose. Molecular dynamics simulation and molecular mechanics

    International Nuclear Information System (INIS)

    Donnamaira, M.C.; Howard, E.I.; Grigera, J.R.

    1992-09-01

    Conformational analysis of the disaccharide trehalose is done by molecular dynamics and molecular mechanics. In spite of the different force fields used in each case, comparison between the molecular dynamics trajectories of the torsional angles of glycosidic linkage and energy conformational map shows a good agreement between both methods. By molecular dynamics it is observed a moderate mobility of the glycosidic linkage. The demands of computer time is comparable in both cases. (author). 6 refs, 4 figs

  16. Topology in Molecular Biology

    CERN Document Server

    Monastyrsky, Michail Ilych

    2007-01-01

    The book presents a class of new results in molecular biology for which topological methods and ideas are important. These include: the large-scale conformation properties of DNA; computational methods (Monte Carlo) allowing the simulation of large-scale properties of DNA; the tangle model of DNA recombination and other applications of Knot theory; dynamics of supercoiled DNA and biocatalitic properties of DNA; the structure of proteins; and other very recent problems in molecular biology. The text also provides a short course of modern topology intended for the broad audience of biologists and physicists. The authors are renowned specialists in their fields and some of the new results presented here are documented for the first time in monographic form.

  17. Molecular and Cellular Signaling

    CERN Document Server

    Beckerman, Martin

    2005-01-01

    A small number of signaling pathways, no more than a dozen or so, form a control layer that is responsible for all signaling in and between cells of the human body. The signaling proteins belonging to the control layer determine what kinds of cells are made during development and how they function during adult life. Malfunctions in the proteins belonging to the control layer are responsible for a host of human diseases ranging from neurological disorders to cancers. Most drugs target components in the control layer, and difficulties in drug design are intimately related to the architecture of the control layer. Molecular and Cellular Signaling provides an introduction to molecular and cellular signaling in biological systems with an emphasis on the underlying physical principles. The text is aimed at upper-level undergraduates, graduate students and individuals in medicine and pharmacology interested in broadening their understanding of how cells regulate and coordinate their core activities and how diseases ...

  18. Activating the molecular spinterface

    Science.gov (United States)

    Cinchetti, Mirko; Dediu, V. Alek; Hueso, Luis E.

    2017-05-01

    The miniaturization trend in the semiconductor industry has led to the understanding that interfacial properties are crucial for device behaviour. Spintronics has not been alien to this trend, and phenomena such as preferential spin tunnelling, the spin-to-charge conversion due to the Rashba-Edelstein effect and the spin-momentum locking at the surface of topological insulators have arisen mainly from emergent interfacial properties, rather than the bulk of the constituent materials. In this Perspective we explore inorganic/molecular interfaces by looking closely at both sides of the interface. We describe recent developments and discuss the interface as an ideal platform for creating new spin effects. Finally, we outline possible technologies that can be generated thanks to the unique active tunability of molecular spinterfaces.

  19. Measuring Dark Molecular Gas

    Science.gov (United States)

    Li, Di; Heiles, Carl E.

    2017-01-01

    It is now well known that a substantial fraction of Galactic molecular gas cannot be traced by CO emission. The thus dubbed CO dark molecular gas (DMG) occupy a large volume of ISM with intermediate extinction, where CO is either not self-shielded and/or subthermally excited. We explore the utilities of simple hydrides, such OH, CH, etc., in tracing DMG. We mapped and modeled the transition zone cross a cloud boundary and derived emperical OH abundance and DMG distribution formulae. We also obtained absorption measurements of various species using Arecibo, VLA, ATCA, and ALMA. The absorption technique has the potential to provide systematic quantification of DMG in the next few years.

  20. Molecular-beam scattering

    International Nuclear Information System (INIS)

    Vernon, M.F.

    1983-07-01

    The molecular-beam technique has been used in three different experimental arrangements to study a wide range of inter-atomic and molecular forces. Chapter 1 reports results of a low-energy (0.2 kcal/mole) elastic-scattering study of the He-Ar pair potential. The purpose of the study was to accurately characterize the shape of the potential in the well region, by scattering slow He atoms produced by expanding a mixture of He in N 2 from a cooled nozzle. Chapter 2 contains measurements of the vibrational predissociation spectra and product translational energy for clusters of water, benzene, and ammonia. The experiments show that most of the product energy remains in the internal molecular motions. Chapter 3 presents measurements of the reaction Na + HCl → NaCl + H at collision energies of 5.38 and 19.4 kcal/mole. This is the first study to resolve both scattering angle and velocity for the reaction of a short lived (16 nsec) electronic excited state. Descriptions are given of computer programs written to analyze molecular-beam expansions to extract information characterizing their velocity distributions, and to calculate accurate laboratory elastic-scattering differential cross sections accounting for the finite apparatus resolution. Experimental results which attempted to determine the efficiency of optically pumping the Li(2 2 P/sub 3/2/) and Na(3 2 P/sub 3/2/) excited states are given. A simple three-level model for predicting the steady-state fraction of atoms in the excited state is included

  1. Molecular Mechanisms of Preeclampsia

    OpenAIRE

    N. Vitoratos; D. Hassiakos; C. Iavazzo

    2012-01-01

    Preeclampsia is a pregnancy-specific disease characterized by new onset hypertension and proteinuria after 20 wk of gestation. It is a leading cause of maternal and fetal morbidity and mortality worldwide. Exciting discoveries in the last decade have contributed to a better understanding of the molecular basis of this disease. Epidemiological, experimental, and therapeutic studies from several laboratories have provided compelling evidence that an antiangiogenic state owing to alterations in ...

  2. Molecular diagnostics of periodontitis

    OpenAIRE

    Izabela Korona-Głowniak; Radosław Siwiec; Marcin Berger; Anna Malm; Jolanta Szymańska

    2017-01-01

    The microorganisms that form dental plaque are the main cause of periodontitis. Their identification and the understanding of the complex relationships and interactions that involve these microorganisms, environmental factors and the host’s health status enable improvement in diagnostics and targeted therapy in patients with periodontitis. To this end, molecular diagnostics techniques (both techniques based on the polymerase chain reaction and those involving nucleic acid analysis via hybridi...

  3. Molecular diagnostics in endodontics

    OpenAIRE

    Rechenberg, Dan-Krister; Zehnder, Matthias

    2014-01-01

    Recent systematic reviews have substantiated the fact that current testing methods to assess the inflammatory state of the pulp and the periapical tissues are of limited value. Consequently, it may be time to search for alternative routes in endodontic diagnostics. Molecular assessment methods could be the future. However, in the field of endodontics, the research in that direction is only about to evolve. Because pulpal and periradicular diseases are related to opportunistic infections, diag...

  4. Molecular Diagnostics of ?-Thalassemia

    OpenAIRE

    Atanasovska, B; Bozhinovski, G; Chakalova, L; Kocheva, S; Karanfilski, O; Plaseska-Karanfiska, D

    2012-01-01

    A high-quality hemoglobinopathy diagnosis is based on the results of a number of tests including assays for molecular identification of causative mutations. We describe the current diagnostic strategy for the identification of ?-thalassemias and hemoglobin (Hb) variants at the International Reference Laboratory for Haemoglobinopathies, Research Centre for Genetic Engineering and Biotechnology (RCGEB) ?Georgi D. Efremov,? Skopje, Republic of Macedonia. Our overall approach and most of the meth...

  5. Molecular biomethods handbook

    National Research Council Canada - National Science Library

    Walker, John M; Rapley, Ralph

    2008-01-01

    ... the reader to a selection of analytical and preparative techniques that we considered to be frequently used by research workers in the field of molecular biology. Clearly, within the constraints of a single volume we had to be selective in the techniques we described. Since the first edition was published, science has continued to move on apace. For example, the use of microarray technology is now commonplace, nanotechnology has entered the scientific literature, microfluidic technology has be...

  6. Molecular Vaccines for Malaria

    Science.gov (United States)

    2010-01-01

    Removing inhibitory plasm ids from the cock- with the radiation-attenuated sporozoite (RAS) vaccine36•37 (see tail restored the immunogenicity of the...relative increased in vitro growth inhibitory activity against homologous to the P. folciparum antigen expressing plasm ids alone, and none parasites...25nm and have a molecular weight of 14.8 kDa. (C) Transmission electron microscopy image of P4c-Mal nanoparticles at 242 OOOx. The sample was

  7. Designing the molecular future

    OpenAIRE

    Schneider Gisbert

    2011-01-01

    Approximately 25 years ago the first computer applications were conceived for the purpose of automated 'de novo' drug design prominent pioneering tools being ALADDIN CAVEAT GENOA and DYLOMMS. Many of these early concepts were enabled by innovative techniques for ligand receptor interaction modeling like GRID MCSS DOCK and CoMFA which still provide the theoretical framework for several more recently developed molecular design algorithms. After a first wave of software tools and groundbreaking ...

  8. Atomic and molecular theory

    International Nuclear Information System (INIS)

    Inokuti, Mitio.

    1990-01-01

    The multifaceted role of theoretical physics in understanding the earliest stages of radiation action is discussed. Scientific topics chosen for the present discourse include photoabsorption, electron collisions, and ionic collisions, and electron transport theory, Connections of atomic and molecular physics with condensed-matter physics are also discussed. The present article includes some historical perspective and an outlook for the future. 114 refs., 3 figs

  9. Molecular ecological network analyses.

    Science.gov (United States)

    Deng, Ye; Jiang, Yi-Huei; Yang, Yunfeng; He, Zhili; Luo, Feng; Zhou, Jizhong

    2012-05-30

    Understanding the interaction among different species within a community and their responses to environmental changes is a central goal in ecology. However, defining the network structure in a microbial community is very challenging due to their extremely high diversity and as-yet uncultivated status. Although recent advance of metagenomic technologies, such as high throughout sequencing and functional gene arrays, provide revolutionary tools for analyzing microbial community structure, it is still difficult to examine network interactions in a microbial community based on high-throughput metagenomics data. Here, we describe a novel mathematical and bioinformatics framework to construct ecological association networks named molecular ecological networks (MENs) through Random Matrix Theory (RMT)-based methods. Compared to other network construction methods, this approach is remarkable in that the network is automatically defined and robust to noise, thus providing excellent solutions to several common issues associated with high-throughput metagenomics data. We applied it to determine the network structure of microbial communities subjected to long-term experimental warming based on pyrosequencing data of 16 S rRNA genes. We showed that the constructed MENs under both warming and unwarming conditions exhibited topological features of scale free, small world and modularity, which were consistent with previously described molecular ecological networks. Eigengene analysis indicated that the eigengenes represented the module profiles relatively well. In consistency with many other studies, several major environmental traits including temperature and soil pH were found to be important in determining network interactions in the microbial communities examined. To facilitate its application by the scientific community, all these methods and statistical tools have been integrated into a comprehensive Molecular Ecological Network Analysis Pipeline (MENAP), which is open

  10. Molecular Gastronomy in Spain

    OpenAIRE

    García-Segovia, Purificación; Garrido, María Dolores; Vercet Tormo, Antonio; Arboleya, Juan Carlos; FISZMAN DAL SANTO, SUSANA; Martínez Monzó, Javier; Laguarda, Sergio; Palacios, Victor; Ruiz Carrascal, Jorge

    2014-01-01

    [EN] Beyond the overwhelming international success of Ferrán Adria, Spain has been one of the countries with a more active implication in molecular gastronomy as a scientific discipline but also in the use of ingredients, technologies, and equipment from the scientificand technological universe in the culinary area. Nowadays, this is a well-established discipline in Spain, with a number of research groups covering related topics, several companies commercializing appliances and additives worl...

  11. Communication: Molecular gears

    Energy Technology Data Exchange (ETDEWEB)

    Burnell, E. Elliott, E-mail: elliott.burnell@ubc.ca [Chemistry Department, University of British Columbia, 2036 Main Mall, Vancouver, British Columbia V6T 1Z1 (Canada); Lange, Cornelis A. de, E-mail: c.a.de.lange@vu.nl [Atomic, Molecular and Laser Physics, Vrije Universiteit, De Boelelaan 1081, 1081 HV Amsterdam (Netherlands); Meerts, W. Leo, E-mail: leo.meerts@science.ru.nl [Atomic, Molecular and Laser Physics, Vrije Universiteit, De Boelelaan 1081, 1081 HV Amsterdam (Netherlands); Institute for Molecules and Materials, Radboud University Nijmegen, Heyendaalseweg 135, NL-6525 AJ Nijmegen (Netherlands)

    2016-09-07

    The {sup 1}H nuclear magnetic resonance spectrum of hexamethylbenzene orientationally ordered in the nematic liquid crystal ZLI-1132 is analysed using covariance matrix adaptation evolution strategy. The spectrum contains over 350 000 lines with many overlapping transitions, from which four independent direct dipolar couplings are obtained. The rotations of the six methyl groups appear to be correlated due to mutual steric hindrance. Adjacent methyl groups show counter-rotating or geared motion. Hexamethylbenzene thus behaves as a molecular hexagonal gear.

  12. Atomic and molecular theory

    Energy Technology Data Exchange (ETDEWEB)

    Inokuti, Mitio.

    1990-01-01

    The multifaceted role of theoretical physics in understanding the earliest stages of radiation action is discussed. Scientific topics chosen for the present discourse include photoabsorption, electron collisions, and ionic collisions, and electron transport theory, Connections of atomic and molecular physics with condensed-matter physics are also discussed. The present article includes some historical perspective and an outlook for the future. 114 refs., 3 figs.

  13. Molecular basis of alcoholism.

    Science.gov (United States)

    Most, Dana; Ferguson, Laura; Harris, R Adron

    2014-01-01

    Acute alcohol intoxication causes cellular changes in the brain that last for hours, while chronic alcohol use induces widespread neuroadaptations in the nervous system that can last a lifetime. Chronic alcohol use and the progression into dependence involve the remodeling of synapses caused by changes in gene expression produced by alcohol. The progression of alcohol use, abuse, and dependence can be divided into stages, which include intoxication, withdrawal, and craving. Each stage is associated with specific changes in gene expression, cellular function, brain circuits, and ultimately behavior. What are the molecular mechanisms underlying the transition from recreational use (acute) to dependence (chronic)? What cellular adaptations result in drug memory retention, leading to the persistence of addictive behaviors, even after prolonged drug abstinence? Research into the neurobiology of alcoholism aims to answer these questions. This chapter will describe the molecular adaptations caused by alcohol use and dependence, and will outline key neurochemical participants in alcoholism at the molecular level, which are also potential targets for therapy. © 2014 Elsevier B.V. All rights reserved.

  14. Molecular symmetry and spectroscopy

    CERN Document Server

    Bunker, Philip; Jensen, Per

    2006-01-01

    The first edition, by P.R. Bunker, published in 1979, remains the sole textbook that explains the use of the molecular symmetry group in understanding high resolution molecular spectra. Since 1979 there has been considerable progress in the field and a second edition is required; the original author has been joined in its writing by Per Jensen. The Material of the first edition has been reorganized and much has been added. The molecular symmetry group is now introduced early on, and the explanation of how to determine nuclear spin statistical weights has been consolidated in one chapter, after groups, symmetry groups, character tables and the Hamiltonian have been introduced. A description of the symmetry in the three-dimensional rotation group K(spatial), irreducible spherical tensor operators, and vector coupling coefficients is now included. The chapters on energy levels and selection rules contain a great deal of material that was not in the first edition (much of it was undiscovered in 1979), concerning ...

  15. Molecular markers in glioma.

    Science.gov (United States)

    Ludwig, Kirsten; Kornblum, Harley I

    2017-09-01

    Gliomas are the most malignant and aggressive form of brain tumors, and account for the majority of brain cancer related deaths. Malignant gliomas, including glioblastoma are treated with radiation and temozolomide, with only a minor benefit in survival time. A number of advances have been made in understanding glioma biology, including the discovery of cancer stem cells, termed glioma stem cells (GSC). Some of these advances include the delineation of molecular heterogeneity both between tumors from different patients as well as within tumors from the same patient. Such research highlights the importance of identifying and validating molecular markers in glioma. This review, intended as a practical resource for both clinical and basic investigators, summarizes some of the more well-known molecular markers (MGMT, 1p/19q, IDH, EGFR, p53, PI3K, Rb, and RAF), discusses how they are identified, and what, if any, clinical relevance they may have, in addition to discussing some of the specific biology for these markers. Additionally, we discuss identification methods for studying putative GSC's (CD133, CD15, A2B5, nestin, ALDH1, proteasome activity, ABC transporters, and label-retention). While much research has been done on these markers, there is still a significant amount that we do not yet understand, which may account for some conflicting reports in the literature. Furthermore, it is unlikely that the investigator will be able to utilize one single marker to prospectively identify and isolate GSC from all, or possibly, any gliomas.

  16. Three-dimensional interactive Molecular Dynamics program for the study of defect dynamics in crystals

    Science.gov (United States)

    Patriarca, M.; Kuronen, A.; Robles, M.; Kaski, K.

    2007-01-01

    difficult to detect and track even within numerical experiments, especially when one is interested in studying their dynamical properties and time evolution. Furthermore, traditional simulation methods require the storage of a huge amount of data which in turn may imply a long work for their analysis. Method of solution:Simplifications of the simulation work described above strongly depend also on the computer performance. It has now become possible to realize some of such simplifications thanks to the real possibility of using interactive programs. The solution proposed here is based on the development of an interactive graphical simulation program both for avoiding large storage of data and the subsequent elaboration and analysis as well as for visualizing and tracking many phenomena inside three-dimensional samples. However, the full computational power of traditional simulation programs may not be available in general in programs with graphical user interfaces, due to their interactive nature. Nevertheless interactive programs can still be very useful for detecting processes difficult to visualize, restricting the range or making a fine tuning of the parameters, and tailoring the faster programs toward precise targets. Restrictions on the complexity of the problem:The restrictions on the applicability of the program are related to the computer resources available. The graphical interface and interactivity demand computational resources that depend on the particular numerical simulation to be performed. To preserve a balance between speed and resources, the choice of the number of atoms to be simulated is critical. With an average current computer, simulations of systems with more than 10 5 atoms may not be easily feasible on an interactive scheme. Another restriction is related to the fact that the program was originally designed to simulate systems in the solid phase, so that problems in the simulation may occur if some particular physical quantities are computed

  17. Cooling of molecular ion beams

    International Nuclear Information System (INIS)

    Wolf, A.; Krohn, S.; Kreckel, H.; Lammich, L.; Lange, M.; Strasser, D.; Grieser, M.; Schwalm, D.; Zajfman, D.

    2004-01-01

    An overview of the use of stored ion beams and phase space cooling (electron cooling) is given for the field of molecular physics. Emphasis is given to interactions between molecular ions and electrons studied in the electron cooler: dissociative recombination and, for internally excited molecular ions, electron-induced ro-vibrational cooling. Diagnostic methods for the transverse ion beam properties and for the internal excitation of the molecular ions are discussed, and results for phase space cooling and internal (vibrational) cooling are presented for hydrogen molecular ions

  18. THE CALIFORNIA MOLECULAR CLOUD

    International Nuclear Information System (INIS)

    Lada, Charles J.; Lombardi, Marco; Alves, Joao F.

    2009-01-01

    We present an analysis of wide-field infrared extinction maps of a region in Perseus just north of the Taurus-Auriga dark cloud complex. From this analysis we have identified a massive, nearby, but previously unrecognized, giant molecular cloud (GMC). Both a uniform foreground star density and measurements of the cloud's velocity field from CO observations indicate that this cloud is likely a coherent structure at a single distance. From comparison of foreground star counts with Galactic models, we derive a distance of 450 ± 23 pc to the cloud. At this distance the cloud extends over roughly 80 pc and has a mass of ∼ 10 5 M sun , rivaling the Orion (A) molecular cloud as the largest and most massive GMC in the solar neighborhood. Although surprisingly similar in mass and size to the more famous Orion molecular cloud (OMC) the newly recognized cloud displays significantly less star formation activity with more than an order of magnitude fewer young stellar objects than found in the OMC, suggesting that both the level of star formation and perhaps the star formation rate in this cloud are an order of magnitude or more lower than in the OMC. Analysis of extinction maps of both clouds shows that the new cloud contains only 10% the amount of high extinction (A K > 1.0 mag) material as is found in the OMC. This, in turn, suggests that the level of star formation activity and perhaps the star formation rate in these two clouds may be directly proportional to the total amount of high extinction material and presumably high density gas within them and that there might be a density threshold for star formation on the order of n(H 2 ) ∼ a few x 10 4 cm -3 .

  19. Computational methods for molecular imaging

    CERN Document Server

    Shi, Kuangyu; Li, Shuo

    2015-01-01

    This volume contains original submissions on the development and application of molecular imaging computing. The editors invited authors to submit high-quality contributions on a wide range of topics including, but not limited to: • Image Synthesis & Reconstruction of Emission Tomography (PET, SPECT) and other Molecular Imaging Modalities • Molecular Imaging Enhancement • Data Analysis of Clinical & Pre-clinical Molecular Imaging • Multi-Modal Image Processing (PET/CT, PET/MR, SPECT/CT, etc.) • Machine Learning and Data Mining in Molecular Imaging. Molecular imaging is an evolving clinical and research discipline enabling the visualization, characterization and quantification of biological processes taking place at the cellular and subcellular levels within intact living subjects. Computational methods play an important role in the development of molecular imaging, from image synthesis to data analysis and from clinical diagnosis to therapy individualization. This work will bring readers fro...

  20. Molecular Mechanisms of Preeclampsia.

    Science.gov (United States)

    Hod, Tammy; Cerdeira, Ana Sofia; Karumanchi, S Ananth

    2015-08-20

    Preeclampsia is a pregnancy-specific disease characterized by new onset hypertension and proteinuria after 20 wk of gestation. It is a leading cause of maternal and fetal morbidity and mortality worldwide. Exciting discoveries in the last decade have contributed to a better understanding of the molecular basis of this disease. Epidemiological, experimental, and therapeutic studies from several laboratories have provided compelling evidence that an antiangiogenic state owing to alterations in circulating angiogenic factors leads to preeclampsia. In this review, we highlight the role of key circulating antiangiogenic factors as pathogenic biomarkers and in the development of novel therapies for preeclampsia. Copyright © 2015 Cold Spring Harbor Laboratory Press; all rights reserved.

  1. De novo molecular design

    CERN Document Server

    Schneider, Gisbert

    2013-01-01

    Systematically examining current methods and strategies, this ready reference covers a wide range of molecular structures, from organic-chemical drugs to peptides, Proteins and nucleic acids, in line with emerging new drug classes derived from biomacromolecules. A leader in the field and one of the pioneers of this young discipline has assembled here the most prominent experts from across the world to provide first-hand knowledge. While most of their methods and examples come from the area of pharmaceutical discovery and development, the approaches are equally applicable for chemical probes an

  2. Molecular water oxidation catalysis

    CERN Document Server

    Llobet, Antoni

    2014-01-01

    Photocatalytic water splitting is a promising strategy for capturing energy from the sun by coupling light harvesting and the oxidation of water, in order to create clean hydrogen fuel. Thus a deep knowledge of the water oxidation catalysis field is essential to be able to come up with useful energy conversion devices based on sunlight and water splitting. Molecular Water Oxidation Catalysis: A Key Topic for New Sustainable Energy Conversion Schemes presents a comprehensive and state-of-the-art overview of water oxidation catalysis in homogeneous phase, describing in detail the most importan

  3. Nuclear molecular states

    International Nuclear Information System (INIS)

    Abe, Y.

    1975-01-01

    The effects of polarization on the stability of α-cluster structures in 8 Be and 12 C nuclei are studied in the intrinsic states. The extent of the polarization of α-clusters is investigated by employing a molecular-orbital model. Two α-cluster structure of 8 Be is shown to be extremely stable, and a triangular configuration of three α-clusters is also shown to be stable, but the polarizations of α-clusters are found rather large. Gruemmer--Faessler's method is discussed and their results are shown to be trivial

  4. Molecular epidemiology of ascariasis

    DEFF Research Database (Denmark)

    Betson, Martha; Halstead, Fennella; Nejsum, Peter

      We are using molecular epidemiology techniques to study the population structure of Ascaris obtained from humans and pigs. Worms were obtained from human hosts on Zanzibar and in Uganda, Bangladesh, Guatemala and Nepal and Ascaris from pigs were collected from in Uganda, Tanzania, Denmark......, Guatemala and the Philippines. Genomic DNA was extracted from each worm and a 450 base pair fragment of the mitochondrial cytochrome oxidase gene subunit 1 (COI) was PCR amplified. The products were sequenced from both strands and sequences were manually edited. Fifty different Ascaris CO1 haplotypes were...

  5. Molecular collision theory

    CERN Document Server

    Child, M S

    2010-01-01

    This high-level monograph offers an excellent introduction to the theory required for interpretation of an increasingly sophisticated range of molecular scattering experiments. There are five helpful appendixes dealing with continuum wavefunctions, Green's functions, semi-classical connection formulae, curve-crossing in the momentum representation, and elements of classical mechanics.The contents of this volume have been chosen to emphasize the quantum mechanical and semi-classical nature of collision events, with little attention given to purely classical behavior. The treatment is essentiall

  6. The nonequilibrium molecular dynamics

    International Nuclear Information System (INIS)

    Hoover, W.G.

    1992-03-01

    MOLECULAR DYNAMICS has been generalized in order to simulate a variety of NONEQUILIBRIUM systems. This generalization has been achieved by adopting microscopic mechanical definitions of macroscopic thermodynamic and hydrodynamic variables, such as temperature and stress. Some of the problems already treated include rapid plastic deformation, intense heat conduction, strong shockwaves simulation, and far-from-equilibrium phase transformations. Continuing advances in technique and in the modeling of interatomic forces, coupled with qualitative improvements in computer hardware, are enabling such simulations to approximate real-world microscale and nanoscale experiments

  7. Molecular Mechanisms of Preeclampsia

    Science.gov (United States)

    Hod, Tammy; Cerdeira, Ana Sofia; Karumanchi, S. Ananth

    2015-01-01

    Preeclampsia is a pregnancy-specific disease characterized by new onset hypertension and proteinuria after 20 wk of gestation. It is a leading cause of maternal and fetal morbidity and mortality worldwide. Exciting discoveries in the last decade have contributed to a better understanding of the molecular basis of this disease. Epidemiological, experimental, and therapeutic studies from several laboratories have provided compelling evidence that an antiangiogenic state owing to alterations in circulating angiogenic factors leads to preeclampsia. In this review, we highlight the role of key circulating antiangiogenic factors as pathogenic biomarkers and in the development of novel therapies for preeclampsia. PMID:26292986

  8. Introduction to basic molecular biologic techniques for molecular imaging researches

    International Nuclear Information System (INIS)

    Kang, Joo Hyun

    2004-01-01

    Molecular imaging is a rapidly growing field due to the advances in molecular biology and imaging technologies. With the introduction of imaging reporter genes into the cell, diverse cellular processes can be monitored, quantified and imaged non-invasively in vivo. These processes include the gene expression, protein-protein interactions, signal transduction pathways, and monitoring of cells such as cancer cells, immune cells, and stem cells. In the near future, molecular imaging analysis will allow us to observe the incipience and progression of the disease. These will make us easier to give a diagnosis in the early stage of intractable diseases such as cancer, neuro-degenerative disease, and immunological disorders. Additionally, molecular imaging method will be a valuable tool for the real-time evaluation of cells in molecular biology and the basic biological studies. As newer and more powerful molecular imaging tools become available, it will be necessary to corporate clinicians, molecular biologists and biochemists for the planning, interpretation, and application of these techniques to their fullest potential. In order for such a multidisciplinary team to be effective, it is essential that a common understanding of basic biochemical and molecular biologic techniques is achieved. Basic molecular techniques for molecular imaging methods are presented in this paper

  9. Photoinduced diffusion molecular transport

    Energy Technology Data Exchange (ETDEWEB)

    Rozenbaum, Viktor M., E-mail: vik-roz@mail.ru, E-mail: litrakh@gmail.com [Chuiko Institute of Surface Chemistry, National Academy of Sciences of Ukraine, Generala Naumova St. 17, Kiev 03164 (Ukraine); Dekhtyar, Marina L. [Institute of Organic Chemistry, National Academy of Sciences of Ukraine, Murmanskaya St. 5, Kiev 02094 (Ukraine); Lin, Sheng Hsien [Department of Applied Chemistry, National Chiao Tung University, 1001 Ta Hsuen Road, Hsinchu 300, Taiwan (China); Trakhtenberg, Leonid I., E-mail: vik-roz@mail.ru, E-mail: litrakh@gmail.com [Semenov Institute of Chemical Physics, Russian Academy of Sciences, Kosygin Street 4, Moscow 119991, Russia and Moscow Institute of Physics and Technology (State University), Institutskii Per. 9, Dolgoprudnyi, Moscow Region 141700 (Russian Federation)

    2016-08-14

    We consider a Brownian photomotor, namely, the directed motion of a nanoparticle in an asymmetric periodic potential under the action of periodic rectangular resonant laser pulses which cause charge redistribution in the particle. Based on the kinetics for the photoinduced electron redistribution between two or three energy levels of the particle, the time dependence of its potential energy is derived and the average directed velocity is calculated in the high-temperature approximation (when the spatial amplitude of potential energy fluctuations is small relative to the thermal energy). The thus developed theory of photoinduced molecular transport appears applicable not only to conventional dichotomous Brownian motors (with only two possible potential profiles) but also to a much wider variety of molecular nanomachines. The distinction between the realistic time dependence of the potential energy and that for a dichotomous process (a step function) is represented in terms of relaxation times (they can differ on the time intervals of the dichotomous process). As shown, a Brownian photomotor has the maximum average directed velocity at (i) large laser pulse intensities (resulting in short relaxation times on laser-on intervals) and (ii) excited state lifetimes long enough to permit efficient photoexcitation but still much shorter than laser-off intervals. A Brownian photomotor with optimized parameters is exemplified by a cylindrically shaped semiconductor nanocluster which moves directly along a polar substrate due to periodically photoinduced dipole moment (caused by the repetitive excited electron transitions to a non-resonant level of the nanocylinder surface impurity).

  10. Chemoradiotherapy and molecular biology

    International Nuclear Information System (INIS)

    Hasegawa, Masatoshi; Mitsuhashi, Norio; Niibe, Hideo

    2000-01-01

    The current status of chemoradiotherapy was reviewed from the standpoint of molecular biology. Chemoradiotherapy was conducted to achieve systemic tumor control, to intensify the response to irradiation, and to reduce adverse reactions. The mechanisms of the efficacy of chemoradiotherapy were: modification of dose-response relationships, inhibition of tumor cell recovery from sublethal damage or potential lethal damage, effects on cell dynamics and the cell cycle, improvement of blood flow or reoxygenation, recruitment, improvement of drug uptake, increased cell damage. Cell death (necrosis and apoptosis) and cancer-related genes were described, as the essential points, because they are involved in the response to chemoradiotherapy. Cisplatin (platinum compound), 5-fluorouracil, etoposide, and taxoid (paclitaxel, docetaxel) were the principal anticancer agents used for chemoradiotherapy, and they enhanced the effects of irradiation. However, even when good responses or synergism between anticancer drug and radiotherapy was observed in in vitro studies, there was little therapeutic advantage clinically. Data from in vitro and in vivo studies should be collected and systemized, and ''molecular biology in chemotherapy'' that can be applied clinically may become established. (K.H.)

  11. Molecular beam kinetics

    International Nuclear Information System (INIS)

    Behrens, R. Jr.

    1975-11-01

    The design of a crossed molecular beam ''supermachine'' for neutral--neutral collisions is discussed. The universal electron bombardment ionizer, mass filter, and ion detection system of the detector, the supersonic nozzle sources, the differential pumping arrangement for the sources and detector, the time-of-flight detection of scattered products, and the overall configuration of the apparatus are described. The elastic scattering of two systems, CH 4 + Ar and NH 3 + Ar, has been measured using the supermachine with two supersonic nozzle sources. The rainbow structure and the interference oscillations are seen in each system. The best fit to the data was found using a Morse--Spline--Van der Waals (MSV) potential. The three potential parameters epsilon, r/sub m/, and β were found to be 2.20(+-0.04) x 10 -14 ergs, 3.82(+-0.04)A, and 7.05 +- 0.20 for CH 4 + Ar, and 2.21(+-0.04) x 10 -14 ergs 3.93 (+-0.05)A, and 8.45 +- 0.30 for NH 3 + Ar. A new phenomenon in crossed molecular beams of condensation of a molecule on a cluster to form a complex was observed. A bromine molecule condensed on clusters of chlorine (Cl 2 )/sub chi/ and ammonia (NH 3 )/sub chi/. The value of chi for measurements in these experiments ranges from 7 to 40 for chlorine clusters and from 10 to 70 ammonia clusters

  12. Molecular biology of potyviruses.

    Science.gov (United States)

    Revers, Frédéric; García, Juan Antonio

    2015-01-01

    Potyvirus is the largest genus of plant viruses causing significant losses in a wide range of crops. Potyviruses are aphid transmitted in a nonpersistent manner and some of them are also seed transmitted. As important pathogens, potyviruses are much more studied than other plant viruses belonging to other genera and their study covers many aspects of plant virology, such as functional characterization of viral proteins, molecular interaction with hosts and vectors, structure, taxonomy, evolution, epidemiology, and diagnosis. Biotechnological applications of potyviruses are also being explored. During this last decade, substantial advances have been made in the understanding of the molecular biology of these viruses and the functions of their various proteins. After a general presentation on the family Potyviridae and the potyviral proteins, we present an update of the knowledge on potyvirus multiplication, movement, and transmission and on potyvirus/plant compatible interactions including pathogenicity and symptom determinants. We end the review providing information on biotechnological applications of potyviruses. © 2015 Elsevier Inc. All rights reserved.

  13. Light and redox switchable molecular components for molecular electronics.

    Science.gov (United States)

    Browne, Wesley R; Feringa, Ben L

    2010-01-01

    The field of molecular and organic electronics has seen rapid progress in recent years, developing from concept and design to actual demonstration devices in which both single molecules and self-assembled monolayers are employed as light-responsive components. Research in this field has seen numerous unexpected challenges that have slowed progress and the initial promise of complex molecular-based computers has not yet been realised. Primarily this has been due to the realisation at an early stage that molecular-based nano-electronics brings with it the interface between the hard (semiconductor) and soft (molecular) worlds and the challenges which accompany working in such an environment. Issues such as addressability, cross-talk, molecular stability and perturbation of molecular properties (e.g., inhibition of photochemistry) have nevertheless driven development in molecular design and synthesis as well as our ability to interface molecular components with bulk metal contacts to a very high level of sophistication. Numerous groups have played key roles in progressing this field not least teams such as those led by Whitesides, Aviram, Ratner, Stoddart and Heath. In this short review we will however focus on the contributions from our own group and those of our collaborators, in employing diarylethene based molecular components.

  14. Assessment of Molecular Modeling & Simulation

    Energy Technology Data Exchange (ETDEWEB)

    None

    2002-01-03

    This report reviews the development and applications of molecular and materials modeling in Europe and Japan in comparison to those in the United States. Topics covered include computational quantum chemistry, molecular simulations by molecular dynamics and Monte Carlo methods, mesoscale modeling of material domains, molecular-structure/macroscale property correlations like QSARs and QSPRs, and related information technologies like informatics and special-purpose molecular-modeling computers. The panel's findings include the following: The United States leads this field in many scientific areas. However, Canada has particular strengths in DFT methods and homogeneous catalysis; Europe in heterogeneous catalysis, mesoscale, and materials modeling; and Japan in materials modeling and special-purpose computing. Major government-industry initiatives are underway in Europe and Japan, notably in multi-scale materials modeling and in development of chemistry-capable ab-initio molecular dynamics codes.

  15. Gas Phase Molecular Dynamics

    International Nuclear Information System (INIS)

    Hall, G.E.; Prrese, J.M.; Sears, T.J.; Weston, R.E.

    1999-01-01

    The goal of this research is the understanding of elementary chemical and physical processes important in the combustion of fossil fuels. Interest centers on reactions involving short-lived chemical intermediates and their properties. High-resolution high-sensitivity laser absorption methods are augmented by high temperature flow-tube reaction kinetics studies with mass spectrometric sampling. These experiments provide information on the energy levels, structures and reactivity of molecular flee radical species and, in turn, provide new tools for the study of energy flow and chemical bond cleavage in the radicals in chemical systems. The experimental work is supported by theoretical and computational work using time-dependent quantum wave packet calculations that provide insights into energy flow between the vibrational modes of the molecule

  16. Molecular genetics in neurology.

    Science.gov (United States)

    Martin, J B

    1993-12-01

    There has been remarkable progress in the identification of mutations in genes that cause inherited neurological disorders. Abnormalities in the genes for Huntington disease, neurofibromatosis types 1 and 2, one form of familial amyotrophic lateral sclerosis, fragile X syndrome, myotonic dystrophy, Kennedy syndrome, Menkes disease, and several forms of retinitis pigmentosa have been elucidated. Rare disorders of neuronal migration such as Kallmann syndrome, Miller-Dieker syndrome, and Norrie disease have been shown to be due to specific gene defects. Several muscle disorders characterized by abnormal membrane excitability have been defined as mutations of the muscle sodium or chloride channels. These advances provide opportunity for accurate molecular diagnosis of at-risk individuals and are the harbinger of new approaches to therapy of these diseases.

  17. Molecular mechanisms in gliomagenesis

    DEFF Research Database (Denmark)

    Hulleman, Esther; Helin, Kristian

    2005-01-01

    Glioma, and in particular high-grade astrocytoma termed glioblastoma multiforme (GBM), is the most common primary tumor of the brain. Primarily because of its diffuse nature, there is no effective treatment for GBM, and relatively little is known about the processes by which it develops. Therefore......, in order to design novel therapies and treatments for GBM, research has recently intensified to identify the cellular and molecular mechanisms leading to GBM formation. Modeling of astrocytomas by genetic manipulation of mice suggests that deregulation of the pathways that control gliogenesis during normal...... brain development, such as the differentiation of neural stem cells (NSCs) into astrocytes, might contribute to GBM formation. These pathways include growth factor-induced signal transduction routes and processes that control cell cycle progression, such as the p16-CDK4-RB and the ARF-MDM2-p53 pathways...

  18. Atomic and molecular sciences

    International Nuclear Information System (INIS)

    Lane, N.F.

    1989-01-01

    The theoretical atomic and molecular physics program at Rice University addresses basic questions about the collision dynamics of electrons, atoms, ions and molecules, emphasizing processes related to possible new energy technologies and other applications. The program focuses on inelastic collision processes that are important in understanding energy and ionization balance in disturbed gases and plasmas. Emphasis is placed on systems and processes where some experimental information is available or where theoretical results may be expected to stimulate new measurements. Examples of current projects include: excitation and charge-transfer processes; orientation and alignment of excited states following collisions; Rydberg atom collisions with atoms and molecules; Penning ionization and ion-pair formation in atom-atom collisions; electron-impact ionization in dense, high-temperature plasmas; electron-molecule collisions; and related topics

  19. Atomic and molecular manipulation

    CERN Document Server

    Mayne, Andrew J

    2011-01-01

    Work with individual atoms and molecules aims to demonstrate that miniaturized electronic, optical, magnetic, and mechanical devices can operate ultimately even at the level of a single atom or molecule. As such, atomic and molecular manipulation has played an emblematic role in the development of the field of nanoscience. New methods based on the use of the scanning tunnelling microscope (STM) have been developed to characterize and manipulate all the degrees of freedom of individual atoms and molecules with an unprecedented precision. In the meantime, new concepts have emerged to design molecules and substrates having specific optical, mechanical and electronic functions, thus opening the way to the fabrication of real nano-machines. Manipulation of individual atoms and molecules has also opened up completely new areas of research and knowledge, raising fundamental questions of "Optics at the atomic scale", "Mechanics at the atomic scale", Electronics at the atomic scale", "Quantum physics at the atomic sca...

  20. Molecular Interactions at Membranes

    DEFF Research Database (Denmark)

    Jagalski, Vivien

    . Today, we know more than ever before about the properties of biological membranes. Advanced biophysical techniques and sophisticated membrane models allow us to answer specific questions about the structure of the components within membranes and their interactions. However, many detailed structural...... the surface-immobilization of LeuT by exchanging the detergent with natural phosphatidylcholine (PC) lipids. Various surface sensitive techniques, including neutron reflectometry (NR), are employed and finally enabled us to confirm the gross structure of LeuT in a lipid environment as predicted by molecular...... dynamic simulations. In a second study, the co-localization of three toxic plant-derived diterpene resin acids (RAs) within DPPC membranes was investigated. These compounds are reported to disrupt the membrane and increase its fluidity. The RAs used in this study vary in their toxicity while...

  1. Molecular mechanisms of carcinogenesis

    International Nuclear Information System (INIS)

    Hall, E.J.

    1997-01-01

    The possibility that chromosomal changes are responsible for neoplasia was proposed in the early years of this century. A combination of improved cytogenetics and the advent of recombinant technology has settled the issue. As recently as 20 years ago, however, the genetic and molecular basis of familiar predisposition to cancer were a mystery, and it is only in the last few years that light has been shed on a few specific types of malignancies. As the genetic basis of human cancer had been documented, a number of genes have been identified as functioning either as oncogenes which act in a dominant fashion to promote tumor growth when mutated, or as tumor suppressor genes which act in a recessive fashion

  2. Molecular genetics of craniosynostosis

    Science.gov (United States)

    Caterine; Auerkari, Elza Ibrahim

    2018-03-01

    Tight regulation process and complex interplay occur along the osteogenic interfaces of the cranial sutures in normal growth and development of the skull. Cranial sutures serve as sites of bone growth while maintaining a state of patency to accommodate the developing brain. Cranial sutures are fibro-cellular structures that separate the rigid plates of the skull bones. Premature fusion of one or more cranial sutures leads to a condition known as craniosynostosis. Craniosynostosis is one of the most common craniofacial anomalies with a prevalence of 1 in 2,500 newborns. Several genes have been identified in the pathogenesis of craniosynostosis. Molecular signaling events and the intracellular signal transduction pathways implicated in the suture pathobiology will provide a useful approach for therapeutic targeting.

  3. Molecular imaging II

    International Nuclear Information System (INIS)

    Semmler, Wolfhard; Schwaiger, Markus

    2008-01-01

    The aim of this textbook of molecular imaging is to provide an up to date review of this rapidly growing field and to discuss basic methodological aspects necessary for the interpretation of experimental and clinical results. Emphasis is placed on the interplay of imaging technology and probe development, since the physical properties of the imaging approach need to be closely linked with the biologic application of the probe (i.e. nanoparticles and microbubbles). Various chemical strategies are discussed and related to the biologic applications. Reporter-gene imaging is being addressed not only in experimental protocols, but also first clinical applications are discussed. Finally, strategies of imaging to characterize apoptosis and angiogenesis are described and discussed in the context of possible clinical translation. (orig.)

  4. Molecular dynamics simulations

    International Nuclear Information System (INIS)

    Alder, B.J.

    1985-07-01

    The molecular dynamics computer simulation discovery of the slow decay of the velocity autocorrelation function in fluids is briefly reviewed in order to contrast that long time tail with those observed for the stress autocorrelation function in fluids and the velocity autocorrelation function in the Lorentz gas. For a non-localized particle in the Lorentz gas it is made plausible that even if it behaved quantum mechanically its long time tail would be the same as the classical one. The generalization of Fick's law for diffusion for the Lorentz gas, necessary to avoid divergences due to the slow decay of correlations, is presented. For fluids, that generalization has not yet been established, but the region of validity of generalized hydrodynamics is discussed. 20 refs., 5 figs

  5. Electrical properties of molecular crystals

    International Nuclear Information System (INIS)

    Barraud, A.

    1968-01-01

    This literature survey summarizes the electrical properties of molecular crystals: molecular crystal structure, transport and excitation mechanisms of charge-carriers, and differences compared to inorganic semi-conductors. The main results concerning the electrical conductivity of the most-studied molecular crystals are presented, together with the optical and photo-electrical properties of these crystals. Finally the different types of electrical measurements used are reviewed, as well as the limits of each method. (author) [fr

  6. Molecular machines open cell membranes.

    Science.gov (United States)

    García-López, Víctor; Chen, Fang; Nilewski, Lizanne G; Duret, Guillaume; Aliyan, Amir; Kolomeisky, Anatoly B; Robinson, Jacob T; Wang, Gufeng; Pal, Robert; Tour, James M

    2017-08-30

    Beyond the more common chemical delivery strategies, several physical techniques are used to open the lipid bilayers of cellular membranes. These include using electric and magnetic fields, temperature, ultrasound or light to introduce compounds into cells, to release molecular species from cells or to selectively induce programmed cell death (apoptosis) or uncontrolled cell death (necrosis). More recently, molecular motors and switches that can change their conformation in a controlled manner in response to external stimuli have been used to produce mechanical actions on tissue for biomedical applications. Here we show that molecular machines can drill through cellular bilayers using their molecular-scale actuation, specifically nanomechanical action. Upon physical adsorption of the molecular motors onto lipid bilayers and subsequent activation of the motors using ultraviolet light, holes are drilled in the cell membranes. We designed molecular motors and complementary experimental protocols that use nanomechanical action to induce the diffusion of chemical species out of synthetic vesicles, to enhance the diffusion of traceable molecular machines into and within live cells, to induce necrosis and to introduce chemical species into live cells. We also show that, by using molecular machines that bear short peptide addends, nanomechanical action can selectively target specific cell-surface recognition sites. Beyond the in vitro applications demonstrated here, we expect that molecular machines could also be used in vivo, especially as their design progresses to allow two-photon, near-infrared and radio-frequency activation.

  7. Molecular studies by electron spectroscopy

    International Nuclear Information System (INIS)

    Hansteen, J.M.

    1977-01-01

    Experience gained in experimental nuclear physics has played a large role in the development of electron spectroscopy as a powerful tool for studying chemical systems. The use of ESCA (Electron Spectroscopy for Chemical Analysis) for the mapping of molecular properties connected with inner as well as outer electron shells is reviewed, mainly from a phenomological point of view. Molecular Auger electron spectroscopy is described as a means of gaining information on details in molecular structure, simultaneously being extensively applied for surface studies. Future highly promising research areas for molecular electron spectroscopy are suggested to be (e,2e) processes as well as continued exploitation of synchrotron radiation from high energy nuclear devices. (Auth.)

  8. Molecular machines open cell membranes

    Science.gov (United States)

    García-López, Víctor; Chen, Fang; Nilewski, Lizanne G.; Duret, Guillaume; Aliyan, Amir; Kolomeisky, Anatoly B.; Robinson, Jacob T.; Wang, Gufeng; Pal, Robert; Tour, James M.

    2017-08-01

    Beyond the more common chemical delivery strategies, several physical techniques are used to open the lipid bilayers of cellular membranes. These include using electric and magnetic fields, temperature, ultrasound or light to introduce compounds into cells, to release molecular species from cells or to selectively induce programmed cell death (apoptosis) or uncontrolled cell death (necrosis). More recently, molecular motors and switches that can change their conformation in a controlled manner in response to external stimuli have been used to produce mechanical actions on tissue for biomedical applications. Here we show that molecular machines can drill through cellular bilayers using their molecular-scale actuation, specifically nanomechanical action. Upon physical adsorption of the molecular motors onto lipid bilayers and subsequent activation of the motors using ultraviolet light, holes are drilled in the cell membranes. We designed molecular motors and complementary experimental protocols that use nanomechanical action to induce the diffusion of chemical species out of synthetic vesicles, to enhance the diffusion of traceable molecular machines into and within live cells, to induce necrosis and to introduce chemical species into live cells. We also show that, by using molecular machines that bear short peptide addends, nanomechanical action can selectively target specific cell-surface recognition sites. Beyond the in vitro applications demonstrated here, we expect that molecular machines could also be used in vivo, especially as their design progresses to allow two-photon, near-infrared and radio-frequency activation.

  9. Molecular pathology and thyroid FNA.

    Science.gov (United States)

    Poller, D N; Glaysher, S

    2017-12-01

    This review summarises molecular pathological techniques applicable to thyroid FNA. The molecular pathology of thyroid tumours is now fairly well understood. Molecular methods may be used as a rule-in test for diagnosis of malignancy in thyroid nodules, eg BRAF V600E point mutation, use of a seven-gene mutational panel (BRAF V600E, RAS genes, RET/PTC or PAX8/PPARG rearrangement), or as a comprehensive multigene next-generation sequencing panel, eg ThyroSeq v2. Molecular methods can also be applied as rule-out tests for malignancy in thyroid nodules, eg Afirma or ThyroSeq v2 or as markers of prognosis, eg TERT promoter mutation or other gene mutations including BRAF V600E, TP53 and AKT1, and as tests for newly defined tumour entities such as non-invasive follicular thyroid neoplasm with papillary like nuclei, or as a molecular marker(s) for targeted therapies. This review describes practical examples of molecular techniques as applied to thyroid FNA in routine clinical practice and the value of molecular diagnostics in thyroid FNA. It describes the range of molecular abnormalities identified in thyroid nodules and thyroid cancers with some practical applications of molecular methods to diagnosis and prognosis of thyroid nodules and thyroid cancer. © 2017 John Wiley & Sons Ltd.

  10. Inflammation and hypoxia in the kidney: friends or foes?

    Science.gov (United States)

    Haase, Volker H

    2015-08-01

    Hypoxic injury is commonly associated with inflammatory-cell infiltration, and inflammation frequently leads to the activation of cellular hypoxia response pathways. The molecular mechanisms underlying this cross-talk during kidney injury are incompletely understood. Yamaguchi and colleagues identify CCAAT/enhancer-binding protein δ as a cytokine- and hypoxia-regulated transcription factor that fine-tunes hypoxia-inducible factor-1 signaling in renal epithelial cells and thus provide a novel molecular link between hypoxia and inflammation in kidney injury.

  11. Thermally driven molecular linear motors - A molecular dynamics study

    DEFF Research Database (Denmark)

    Zambrano, Harvey A; Walther, Jens Honore; Jaffe, Richard Lawrence

    2009-01-01

    We conduct molecular dynamics simulations of a molecular linear motor consisting of coaxial carbon nanotubes with a long outer carbon nanotube confining and guiding the motion of an inner short, capsule-like nanotube. The simulations indicate that the motion of the capsule can be controlled by th...

  12. Bienvenida la Medicina Molecular

    Directory of Open Access Journals (Sweden)

    Orlando R. Serrano-Barrera

    2015-11-01

    Full Text Available No ha cambiado la medicina, sino que ha avanzado. Los métodos clínico-epidemiológicos  incluyen hoy y se benefician del conocimiento de las bases moleculares del proceso salud-enfermedad, tanto las variaciones individuales, como los caracteres compartidos por comunidades y poblaciones, que las hacen resistentes o vulnerables a una enfermedad. La estimación presintomática e, incluso, prenatal del riesgo de enfermar, el diagnóstico, el pronóstico, la elección del tratamiento más ajustado al paciente, las posibilidades de rehabilitación y reinserción social, la educación y promoción sanitarias son todos momentos del proceso de toma de decisiones, que el médico debe asumir en el nuevo escenario de una ciencia que ha logrado discernir las implicaciones de un número creciente de moléculas, sus variantes, sus formas mutadas y sus interacciones con otras moléculas y con factores ambientales. (1 ¿Cuán lejos está tal panorama de nuestra práctica clínica? También en nuestros escenarios se hace medicina molecular. Así ha sido desde que en 1949 Pauling catalogara la primera enfermedad molecular: la anemia drepanocítica. (2 La más temprana acción de prevención, la vacunación, se realiza a diario en las áreas de salud e incluye preparados conformados por moléculas obtenidas por vía recombinante o síntesis química, como el antígeno de superficie del virus de la hepatitis B y el polisacárido de membrana del Haemophilus influenzae, respectivamente. (3 La pesquisa poblacional de cáncer de próstata, enfocado hacia los hombres mayores de 50 años o con síntomas sugestivos, se auxilia de la cuantificación en sangre del antígeno prostático específico. (4 El tratamiento del infarto agudo del miocardio, ahora la segunda causa de muerte en Cuba, incluye la trombolisis con estreptocinasa, otra biomolécula recombinante. (5 En desarrollo, en etapa de ensayos clínicos o ya como productos registrados algunas vacunas terap

  13. Molecular digital pathology: progress and potential of exchanging molecular data.

    Science.gov (United States)

    Roy, Somak; Pfeifer, John D; LaFramboise, William A; Pantanowitz, Liron

    2016-09-01

    Many of the demands to perform next generation sequencing (NGS) in the clinical laboratory can be resolved using the principles of telepathology. Molecular telepathology can allow facilities to outsource all or a portion of their NGS operation such as cloud computing, bioinformatics pipelines, variant data management, and knowledge curation. Clinical pathology laboratories can electronically share diverse types of molecular data with reference laboratories, technology service providers, and/or regulatory agencies. Exchange of electronic molecular data allows laboratories to perform validation of rare diseases using foreign data, check the accuracy of their test results against benchmarks, and leverage in silico proficiency testing. This review covers the emerging subject of molecular telepathology, describes clinical use cases for the appropriate exchange of molecular data, and highlights key issues such as data integrity, interoperable formats for massive genomic datasets, security, malpractice and emerging regulations involved with this novel practice.

  14. HIV Molecular Immunology 2015

    Energy Technology Data Exchange (ETDEWEB)

    Yusim, Karina [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Korber, Bette Tina [Los Alamos National Lab. (LANL), Los Alamos, NM (United States). Theoretical Division; Brander, Christian [Institucio Catalana de Recerca i Estudis Avancats (ICREA), Barcelona (Spain); Barouch, Dan [Beth Israel Deaconess Medical Center, Boston, MA (United States). Division of Vaccine Research; de Boer, Rob [Utrecht University, Utrecht (Netherlands). Faculty of Biology; Haynes, Barton F. [Duke Univ., Durham, NC (United States). Duke Human Vaccine Institute and Departments of Medicine, Surgery and Immunology; Koup, Richard [National Inst. of Health (NIH), Bethesda, MD (United States). Vaccine Research Center; Moore, John P. [Cornell Univ., Ithaca, NY (United States). Weill Medical College; Walker, Bruce D. [Ragon Institute, Cambridge, MA (United States); Watkins, David [Wisconsin Regional Primate Research Center, Madison, WI (United States)

    2016-04-05

    The scope and purpose of the HIV molecular immunology database: HIV Molecular Immunology is a companion volume to HIV Sequence Compendium. This publication, the 2015 edition, is the PDF version of the web-based HIV Immunology Database (http://www.hiv.lanl.gov/ content/immunology/). The web interface for this relational database has many search options, as well as interactive tools to help immunologists design reagents and interpret their results. In the HIV Immunology Database, HIV-specific B-cell and T-cell responses are summarized and annotated. Immunological responses are divided into three parts, CTL, T helper, and antibody. Within these parts, defined epitopes are organized by protein and binding sites within each protein, moving from left to right through the coding regions spanning the HIV genome. We include human responses to natural HIV infections, as well as vaccine studies in a range of animal models and human trials. Responses that are not specifically defined, such as responses to whole proteins or monoclonal antibody responses to discontinuous epitopes, are summarized at the end of each protein section. Studies describing general HIV responses to the virus, but not to any specific protein, are included at the end of each part. The annotation includes information such as cross-reactivity, escape mutations, antibody sequence, TCR usage, functional domains that overlap with an epitope, immune response associations with rates of progression and therapy, and how specific epitopes were experimentally defined. Basic information such as HLA specificities for T-cell epitopes, isotypes of monoclonal antibodies, and epitope sequences are included whenever possible. All studies that we can find that incorporate the use of a specific monoclonal antibody are included in the entry for that antibody. A single T-cell epitope can have multiple entries, generally one entry per study. Finally, maps of all defined linear epitopes relative to the HXB2 reference proteins

  15. Optically controllable molecular logic circuits

    International Nuclear Information System (INIS)

    Nishimura, Takahiro; Fujii, Ryo; Ogura, Yusuke; Tanida, Jun

    2015-01-01

    Molecular logic circuits represent a promising technology for observation and manipulation of biological systems at the molecular level. However, the implementation of molecular logic circuits for temporal and programmable operation remains challenging. In this paper, we demonstrate an optically controllable logic circuit that uses fluorescence resonance energy transfer (FRET) for signaling. The FRET-based signaling process is modulated by both molecular and optical inputs. Based on the distance dependence of FRET, the FRET pathways required to execute molecular logic operations are formed on a DNA nanostructure as a circuit based on its molecular inputs. In addition, the FRET pathways on the DNA nanostructure are controlled optically, using photoswitching fluorescent molecules to instruct the execution of the desired operation and the related timings. The behavior of the circuit can thus be controlled using external optical signals. As an example, a molecular logic circuit capable of executing two different logic operations was studied. The circuit contains functional DNAs and a DNA scaffold to construct two FRET routes for executing Input 1 AND Input 2 and Input 1 AND NOT Input 3 operations on molecular inputs. The circuit produced the correct outputs with all possible combinations of the inputs by following the light signals. Moreover, the operation execution timings were controlled based on light irradiation and the circuit responded to time-dependent inputs. The experimental results demonstrate that the circuit changes the output for the required operations following the input of temporal light signals

  16. Structural Molecular Biology 2017 | SSRL

    Science.gov (United States)

    Highlights Training Workshops & Summer Schools Summer Students Structural Molecular Biology Illuminating experimental driver for structural biology research, serving the needs of a large number of academic and — Our Mission The SSRL Structural Molecular Biology program operates as an integrated resource and has

  17. Teaching Molecular Biology with Microcomputers.

    Science.gov (United States)

    Reiss, Rebecca; Jameson, David

    1984-01-01

    Describes a series of computer programs that use simulation and gaming techniques to present the basic principles of the central dogma of molecular genetics, mutation, and the genetic code. A history of discoveries in molecular biology is presented and the evolution of these computer assisted instructional programs is described. (MBR)

  18. Cardiovascular molecular imaging of apoptosis

    International Nuclear Information System (INIS)

    Wolters, S.L.; Reutelingsperger, C.P.M.; Corsten, M.F.; Hofstra, L.; Narula, J.

    2007-01-01

    Molecular imaging strives to visualise processes at the molecular and cellular level in vivo. Understanding these processes supports diagnosis and evaluation of therapeutic efficacy on an individual basis and thereby makes personalised medicine possible. Apoptosis is a well-organised mode of cell suicide that plays a role in cardiovascular diseases (CVD). Apoptosis is associated with loss of cardiomyocytes following myocardial infarction, atherosclerotic plaque instability, congestive heart failure and allograft rejection of the transplanted heart. Thus, apoptosis constitutes an attractive target for molecular imaging of CVD. Our current knowledge about the molecular players and mechanisms underlying apoptosis offers a rich palette of potential molecular targets for molecular imaging. However, only a few have been successfully developed so far. This review highlights aspects of the molecular machinery and biochemistry of apoptosis relevant to the development of molecular imaging probes. It surveys the role of apoptosis in four major areas of CVD and portrays the importance and future perspectives of apoptosis imaging. The annexin A5 imaging protocol is emphasised since it is the most advanced protocol to measure apoptosis in both preclinical and clinical studies. (orig.)

  19. CH2 molecular beam source

    International Nuclear Information System (INIS)

    Porter, R.A.R.; Grosser, A.E.

    1980-01-01

    A molecular beam source of CH 2 is described. Coaxial beams of methylene halide and alkali metal react and the mixture is formed into a molecular beam. Passage through a mechanical velocity selector rotating at a suitably high speed purifies the beam, separating light, fast CH 2 from heavier, slower contaminating species

  20. Molecular Structure of Nucleic Acids

    Indian Academy of Sciences (India)

    Molecular Structure of Nucleic Acids. A Structure for Deoxyribose Nucleic Acid. J. D. Watson and F. H. C. Crick. Medical Research Council Unit for the Study of the Molecular Structure of Biological. Systems, Cavendish Laboratory, Cambridge. April 2. We wish to suggest a structure for the salt of deoxyribose nucleic acid ...