209 research outputs found

    Outline of an experimental design aimed to detect protein A mirror image in solution

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    There is abundant theoretical evidence indicating that a mirror image of Protein A may occur during the protein folding process. However, as to whether such mirror image exists in solution is an unsolved issue. Here we provide outline of an experimental design aimed to detect the mirror image of Protein A in solution. The proposal is based on computational simulations indicating that the use of a mutant of protein A, namely Q10H, could be used to detect the mirror image conformation in solution. Our results indicate that the native conformation of the protein A should have a pKa, for the Q10H mutant, at ≈6.2, while the mirror-image conformation should have a pKa close to ≈7.3. Naturally, if all the population is in the native state for the Q10H mutant, the pKa should be ≈6.2, while, if all are in the mirror-image state, it would be ≈7.3, and, if it is a mixture, the pKa should be larger than 6.2, presumably in proportion to the mirror population. In addition, evidence is provided indicating the tautomeric distribution of H10 must also change between the native and mirror conformations. Although this may not be completely relevant for the purpose of determining whether the protein A mirror image exists in solution, it could provide valuable information to validate the pKa findings. We hope this proposal will foster experimental work on this problem either by direct application of our proposed experimental design or serving as inspiration and motivation for other experiments.Fil: Martín, Osvaldo Antonio. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Matemática Aplicada de San Luis "Prof. Ezio Marchi". Universidad Nacional de San Luis. Facultad de Ciencias Físico, Matemáticas y Naturales. Instituto de Matemática Aplicada de San Luis "Prof. Ezio Marchi"; ArgentinaFil: Vorobjev, Yury. Institute Of Chemical Biology And Fundamental Medicine; RusiaFil: Scheraga, Harold A.. Cornell University; Estados UnidosFil: Vila, Jorge Alberto. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro Científico Tecnológico Conicet - San Luis. Instituto de Matemática Aplicada de San Luis "Prof. Ezio Marchi". Universidad Nacional de San Luis. Facultad de Ciencias Físico, Matemáticas y Naturales. Instituto de Matemática Aplicada de San Luis "Prof. Ezio Marchi"; Argentina. Cornell University; Estados Unido

    Paracossulus thrips Hubner 1818

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    <i>Paracossulus thrips</i> (Hübner, 1818) <p>(fig. 8)</p> <p> <i>Bombyces thrips</i> Hübner, 1818: fig. 265.</p> <p>Type locality: [Europe].</p> <p>Type material is lost.</p> <p>Distribution: Ukraine, European part of Russia (central and southern parts), SW Siberia, Kazakhstan, Turkey, Iran, Caucasus, Transcaucasia, Hungary, Bulgaria (Yakovlev 2011).</p> <p>Material examined: 1 male, Northern Caucasus, [18]91, Keler leg. (ZISP); 1 male, Stavropol Reg., Gul’kevichi, 16.07.976 (ZISP); 1 male, Gelendzhik, 4.09.[19]08, Vorobjev leg. (ZISP); 2 males, Grozny, 12.07.906, Rodnensky (ZISP); 12 males, Mashuk Mt., 30.07.948 (ZISP, ZMKU); 1 male, Kuban’ River bank, Ekaterinodar [Krasnodar], 906, Vorobjev leg. (ZISP); 1 female, Kislovodsk, 19.07.953 (ZISP); 1 male, Tarki, 4.08.940, Rjabov (ZISP); 1 male, Mineral’nye Vody, 8.50 (ZISP); 1 male, Beshtau, 9.07.938, Egorov leg. (ZISP); 1 male, Gelendzhik, 910, Vorobjev leg. (ZISP); 1 male, Ciscaucasia, Inozemtsevo (ZMKU); 1 male, Rostov-on- Don(ZMKU); 2 males, Derbent (ZMKU); 2 males, Bolshekrepinskaja, 11– 28.07.2005 (APC); Volochaevsky, 2 males, 20.07.2006, 2 males, 15.07.2007, 3 males, 1– 10.08.2007, 1 male, 20.07.2008, 2 males, 22.06.2009, 11 males, 26– 30.07.2011 (APC); Gigant, 1 male, 5.06.2008, 1 male, 19.07.2011, 1 male, 8.08.2011; 2 males, Elanskaja, 24– 30.06.1999 (APC); 1 male, Kazanskaja, 17.07.2014 (APC); 1 male, Kalinin, 9.07.2007 (APC); 3 males, Kamensk, 27.06.2009 (APC); 1 male, Konygin, 15.07.2005 (APC); 4 males, Manytch, 23.07.2005 (APC); 1 male, Miljutinskaja, 21.07.2014 (APC); 3 male, Nizhnesazonov, 22.06.2011 (APC); 4 males, 2 females, Puzanovsky, 26.06.2007 (APC); 1 male, Razdorskaja, 28.06.2003 (APC); 2 males, Rostov Botanical Garden, 4.08.2011 (APC); 1 male, Ternovoy, 26.07.2009 (APC); 1 male, Tchertkowo, 19.07.2013 (APC); 2 males, Shebunjaevsky, 21– 25.07.2004 (APC); 1 male, Jakhno, 13.07.2003 (VSC); 1 male, 1 female, Kugo-Eya, 26.07.2011 (VSC); 1 male, 1 female, Krutaja Gorge, 16.07.2011, 1 male, 16.08.2013 (VSC); 7 males, Zavodskoy, 18.07.2012 (VSC).</p>Published as part of <i>Yakovlev, Roman V., Poltavsky, Alexander N., Ilyina, Elena V., Shchurov, Valeriy I. & Witt, Thomas J., 2015, Cossidae (Lepidoptera) of the Russian Caucasus with the description of a new species, pp. 270-288 in Zootaxa 4044 (2)</i> on page 281, DOI: 10.11646/zootaxa.4044.2.5, <a href="http://zenodo.org/record/232713">http://zenodo.org/record/232713</a&gt

    Energy and quantum number flow in K+p and pi+p interactions at 32 and 70 GeV/c

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    Mass measurements of exotic nuclides at SHIPTRAP

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    The Penning trap mass spectrometer SHIPTRAP is installed behind the velocity‐filter SHIP at GSI for high‐precision mass measurements of fusion‐evaporation residues. To facilitate an efficient stopping of the reaction products a buffer gas stopping cell is utilized. In an investigation of neutron‐deficient nuclides in the terbium‐to‐thulium region around A ≈ 146, 18 new or improved mass values have been obtained, resulting in a more accurate determination of the proton drip line for holmium and thulium. With the present performance of SHIPTRAP, a first direct mass measurement of transuranium elements in the nobelium region is within reach

    Predictions of helical twisting powers and molecular chirality

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    When chiral molecules are added to an achiral nematic liquid crystalline solvent, they can transmit their molecular chirality to the whole system over distances many times their molecular length. The helical twisting power, βm, is a measure of the degree of twist a chiral molecule can induce in a nematic liquid crystal. The work in this thesis is primarily concerned with calculating helical twisting powers for a variety of chiral molecules using computational and theoretical methods. The first technique used to calculate βm employed Monte Carlo simulations of an atomistic chiral dopant molecule in a chiral liquid crystal phase composed of generic liquid crystalline molecules. The method was found to be computationally expensive, but provided reasonable predictions of when compared with experimental results. Prior to these calculations, a liquid crystal solvent for use in this method was studied. Computer simulations of L/D = 4 soft repulsive spherocylinder (SRS) molecules were performed and two liquid crystalline phases were found in the SRS phase diagram. The scaled chiral index and the chirality order parameter are quantitative measures of molecular chirality. Both of these methods have been found to show a good correlation with experimentally determined helical twisting powers of relatively rigidchiral molecules. The chiral measures have also been incorporated in Monte Carlo simulations of flexible chiral molecules. This method has been successful in predicting βm for flexible chiral dopants, in predicting the temperature dependence of βm, has demonstrated a temperature induced helical twist inversion, and has been used in a predictive study to aid in future synthetic strategies. The final part of the thesis uses Monte Carlo simulations of a chiral molecule in an achiral liquid crystal phase. These simulations have shown that it is possible to relate the torque the chiral molecule induces in the solvent to βm
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