Two-dimensional 1H-NMR study of bacterioopsin-(34–65)-polypeptide conformation

AbstractConformation of the synthetic 32-residue polypeptide, an analog of membrane spanning segment B (residues 34–65) of the Halobacterium halobium bacteriorhodopsin in the membrane mimetic system, methanol/chloroform (1:1), was investigated by 1H-NMR spectroscopy. Previously it was shown by 19F-NMR spectroscopy that this medium retains the native conformation of membrane bound BR and its fragments. The spectrum resonance was assigned by means of the sequential signal assignment porcedure using phase-sensitive DQF-COSY, MLEV17 HOHAHA and NOESY techniques. Interproton nuclear Overhauser effects, spin-spin coupling constant of vicinal H-NCα-H protons and deuterium exchange rates of individual NH groups were derived from two-dimensional NMR spectra. The data unequivocally define the peptide conformation as the right-handed α-helix, extremely rigid in the central region from Phe 42 to Nle 60 and flexible in the N- and C-terminal parts

Кризисный сценарий для «Еврозоны»: варианты развития событий и уроки для экономических интеграционных объединений с участием России

Topic. The article reviews the legal possibility of full or partial EMU breakup (EURO-crack). The authors conducted jurisprudential researches of the European experience and compare both the provisions of the EU and Eurasian Economic Union (EAEU) documents (Treaty, Protocol 15) and integration processes maturity of the latter.Purpose. The purpose of the article is to consider possible mechanisms and consequences of European Union (EU) member states exit from the economic and monetary union (EMU); to assess the applicability of the European experience to the development of monetary and economic integration among member states of Eurasian Economic Union (EAEU).Methodology. The authors of the article use scenario analysis method to assess legal grounds, procedures, mechanisms and consequences of EU member states exit from the economic and monetary union for the ongoing one (Brexit) and the most probable options.Results. The authors systematize and conduct consistent analysis of prerequisites, the chronology of formation of various European integration associations, fundamental legal documents and key milestones in the formation of monetary integration in the EU, the stages of European EMU development in its contemporary form. They include an exit from Eurozone: with further immediate application for repeat accession without taking part in the monetary union; retaining the EU membership based on the provisions of Vienna Convention regarding the law of treaties and that arising out of the Treaty on the functioning of the EU.Conclusions. The authors conclude that the modern system of international law provides an effective denouncement mechanism of the Treaty on European Union and its individual provisions. They argue the possibility of changing the legal status of member States with varying degrees of participation in EMU and, on the example of Italy, criticized the initiative for a unilateral exit of a member state of the EMU.Jurisprudential researches of the European experience conducted by the authors, allowed them to compare the provisions of the documents of the EU and the Eurasian Economic Union (EAEU) (Treaty, Protocol 15)), and the degree of maturity of the integration processes of the latter. Conclusions made by the authors about the prospects of economic and monetary integration of member States of the EAEU are the base of recommendations for action concerning deepening economic integration and creation of common financial market of the EEU. Conclusions made by the authors are also relevant to state authorities of the Russian Federation, including economic authorities and organs of diplomacy.Предмет. В статье исследуются правовые возможности полного или частичного выхода из Экономического и валютного союза (ЭВС) стран ЕС. С этой целью авторы провели правоведческие исследования опыта европейских страх и сравнили положения основных документов ЕС и Евразийского экономического союза (ЕАЭС) (Трактат, Протокол № 15), а также зрелость интеграционных процессов в ЕАЭС.Цель. Рассмотрение возможных механизмов и последствий выхода государств-членов Европейского союза (ЕС) из экономического и валютного союза (ЭВС), оценка применимости европейского опыта для развития валютно-экономической интеграции стран Евразийского экономического союза (ЕАЭС).Методология. Авторы статьи используют метод сценарного анализа для оценки правовых оснований, процедур, механизмов и последствий выхода государств-членов ЕС из экономического и валютного союза для уже реализуемого (Brexit) и наиболее вероятных вариантов.Результаты: Для этого авторы систематизируют и последовательно анализируют предпосылки, хронологию формирования различных интеграционных объединений Европы, основополагающие юридические документы и ключевые вехи становления валютной интеграции в ЕС, этапы формирования в Европе ЭВС в его современном виде. В статье рассматривается вероятность полного или частичного распада ЭВС (EURO-crack). В их числе выход из Еврозоны: с последующим немедленным направлением заявки на повторное вступление, без участия в валютном союзе; с сохранением членства в ЕС по основаниям, предусмотренным Венской конвенции о праве международных договоров или вытекающим из Договора о функционировании ЕС.Выводы. Авторы делают выводы о том, что современная система международного права содержит эффективный механизм денонсации Договора о ЕС и отдельных его положений. Аргументируют они и возможность изменения правового статуса государств-членов с разной степенью участия в ЭВС и, на примере Италии, приводят критику инициативы по одностороннему выходу государства-члена из ЭВС.Правовое исследование европейского опыта, проведенное авторами, позволило им сопоставить и положения документов ЕС и Евразийского экономического союза (ЕАЭС) (Договора, Протокола 15), и степень зрелости интеграционных процессов последнего. Сделанные авторами выводы о перспективах валютно-экономической интеграции государств-членов ЕАЭС положены ими в основу рекомендаций по углублению экономической интеграции, созданию общего финансового рынка ЕАЭС. Приведенные в статье выводы и рекомендации по принятию мер для дальнейшего углубления экономической интеграции с государствами Евразийского экономического союза (ЕАЭС) актуальны для органов государственной власти Российской Федерации, в том числе экономических властей и органов дипломатии

Nuclear Magnetic Resonance Solution Structure and Functional Behavior of the Human Proton Channel

The human voltage-gated proton channel [Hv1(1) or VSDO(2)] plays an important role in the human innate immune system. Its structure differs considerably from those of other cation channels. It is built solely of a voltage-sensing domain and thus lacks the central pore domain, which is essential for other cation channels. Here, we determined the solution structure of an N- and C-terminally truncated human Hv1 (Δ-Hv1) in the resting state by nuclear magnetic resonance (NMR) spectroscopy. Δ-Hv1 comprises the typical voltage-sensing antiparallel four-helix bundle (S1–S4) preceded by an amphipathic helix (S0). The solution structure corresponds to an intermediate state between resting and activated forms of voltage-sensing domains. Furthermore, Zn2+-induced closing of proton channel Δ-Hv1 was studied with two-dimensional NMR spectroscopy, which showed that characteristic large scale dynamics of open Δ-Hv1 are absent in the closed state of the channel. Additionally, pH titration studies demonstrated that a higher H+ concentration is required for the protonation of side chains in the Zn2+-induced closed state than in the open state. These observations demonstrate both structural and dynamical changes involved in the process of voltage gating of the Hv1 channel and, in the future, may help to explain the unique properties of unidirectional conductance and the exceptional ion selectivity of the channel

Microtopochemistry of pyrite nodules of siliceous siltstones from the Yubileinoe massive sulfide deposit (the Southеrn Urals): LA-IСP-MS data

Object . The zonal pyrite nodules and metacrystals from siliceous siltstones of ore-bearing horizon of the Second ore body from the Yubileynoe massive sulfide deposit are studied. Materials and methods . We used 9 samples and 15 polished sections of siliceous siltstones with pyrite mineralization. Analysis of chemical composition minerals was determined by Tescan Vega 3 with an energy dispersive microprobe Oxford Instruments X-act (Institute of Mineralogy UB RAS, Miass). Quantitave LA-ICP-MS analysis of pyrite for major and trace elements was carried out using New Wave Research UP-213 laser microprobe coupled to an Agilent 7500 quadrupole ICP-MS housed (University of Tasmania, Australia). Results. Microtopochemistry was established that the diagenetic core of the nodule is characterized by trace elements of typical poikilites of quartz (Si) and alumosilicates (Si, Al, Mg, V, Cr, K, Na, Ca), rutile and titanite (Ti), inclusions of chalcopyrite (Cu), sphalerite (Zn), galena (Pb, Sb, Bi), tetrahedrite-tennantite (As, Sb), native gold, petzite, hessite (Au, Ag, Te), tellurobismuthite, altaite, and coloradoite (Te, Bi, Pb). Cobalt and Ni substitute for Fe2+. The rim of subhedral pyrite is depleted in most trace elements except for Ni and As. Subhedral pyrite became rich in chalcophile (Au, Ag, Sb, Bi, Cu, Zn, Hg) and lithophile (Ca, K, Na, Cr) elements at the final stage of growth of the nodule. Similar mineralogical and geochemical zonation is typical of the pyrite metacrystals, where a micro-grained core concentrates Pb, Bi and Te, and a rim of subhedral pyrite is depleted in most trace elements. Similarly to the nodules, the outer rim of pyrite metacrystals is enriched in most trace elements (Pb, Au, Ag, Sb, Cu, As, Mo, Cr, etc.). The nodules and metacrystals were formed from diagenetic micronodule of poikilite pyrite. Conclusions. It is suggested that mineralogical and geochemical differences in pyrite metacrystals and nodules are caused by the greater degree of development of rims of subhedral pyrite

Simulation models and research algorithms of thin shell structures deformation Part I. Shell deformation models

In the article the development of thin shell construction theory is considered according to the contribution of researchers, chronology, including the most accurate and simplified solutions. The review part of the article consists only of those publications which are related to the development of shell theory. The statement is based on the works of famous Russian researchers (V. V. Novozhilov, A. I. Lurie, A. L. Goldenweiser, H. M. Mushtari, V. Z. Vlasov), who developed the specified theory the most. The paper also mentions the researchers who improved the theory, calculation methods in aspects of strength, sustainability and vibrations of thin elastic shell constructions. Separately the application of the models for ribbed shells constructions is shown. It is reporting the basic principles of nonlinear thin shell construction theory development, including the nonlinear relations for deformations. In the article it is shown that if median surface of the shell is referred to the orthogonal coordinate system, then the expressions for deformations, obtained by different authors, practically correspond. The case in which the median surface of the shell is referred to an oblique-angled coordinate system was developed by A. L. Goldenweiser. For static problem, the functional of the total potential energy of deformation, representing the difference between the potential energy and the work of external forces, is used. The equilibrium equations and natural boundary conditions are derived from the minimum condition of this functional. In case of dynamic problem, the functional of the total deformation energy of the shell is described in which it is necessary to consider the kinetic energy of shell deformation. It is necessary to underline that the condition for minimum of the specified functional lets to derive the movement equations and natural boundary and initial conditions. Also, in the article the results of contemporary research of thin shell theory are presented

SODALITE@RT: Orchestrating Applications on Cloud-Edge Infrastructures

AbstractIoT-based applications need to be dynamically orchestrated on cloud-edge infrastructures for reasons such as performance, regulations, or cost. In this context, a crucial problem is facilitating the work of DevOps teams in deploying, monitoring, and managing such applications by providing necessary tools and platforms. The SODALITE@RT open-source framework aims at addressing this scenario. In this paper, we present the main features of the SODALITE@RT: modeling of cloud-edge resources and applications using open standards and infrastructural code, and automated deployment, monitoring, and management of the applications in the target infrastructures based on such models. The capabilities of the SODALITE@RT are demonstrated through a relevant case study

Measurement of main parameters of the \psi(2S) resonance

A high-precision determination of the main parameters of the \psi(2S) resonance has been performed with the KEDR detector at the VEPP-4M e^{+}e^{-} collider in three scans of the \psi(2S) -- \psi(3770) energy range. Fitting the energy dependence of the multihadron cross section in the vicinity of the \psi(2S) we obtained the mass value M = 3686.114 +- 0.007 +- 0.011 ^{+0.002}_{-0.012} MeV and the product of the electron partial width by the branching fraction into hadrons \Gamma_{ee}*B_{h} = 2.233 +- 0.015 +- 0.037 +- 0.020 keV. The third error quoted is an estimate of the model dependence of the result due to assumptions on the interference effects in the cross section of the single-photon e^{+}e^{-} annihilation to hadrons explicitly considered in this work. Implicitly, the same assumptions were employed to obtain the charmonium leptonic width and the absolute branching fractions in many experiments. Using the result presented and the world average values of the electron and hadron branching fractions, one obtains the electron partial width and the total width of the \psi(2S): \Gamma_{ee} =2.282 +- 0.015 +- 0.038 +- 0.021 keV, \Gamma = 296 +- 2 +- 8 +- 3 keV. These results are consistent with and more than two times more precise than any of the previous experiments

Jet energy measurement with the ATLAS detector in proton-proton collisions at root s=7 TeV

The jet energy scale and its systematic uncertainty are determined for jets measured with the ATLAS detector at the LHC in proton-proton collision data at a centre-of-mass energy of √s = 7TeV corresponding to an integrated luminosity of 38 pb-1. Jets are reconstructed with the anti-kt algorithm with distance parameters R=0. 4 or R=0. 6. Jet energy and angle corrections are determined from Monte Carlo simulations to calibrate jets with transverse momenta pT≥20 GeV and pseudorapidities {pipe}η{pipe}<4. 5. The jet energy systematic uncertainty is estimated using the single isolated hadron response measured in situ and in test-beams, exploiting the transverse momentum balance between central and forward jets in events with dijet topologies and studying systematic variations in Monte Carlo simulations. The jet energy uncertainty is less than 2. 5 % in the central calorimeter region ({pipe}η{pipe}<0. 8) for jets with 60≤pT<800 GeV, and is maximally 14 % for pT<30 GeV in the most forward region 3. 2≤{pipe}η{pipe}<4. 5. The jet energy is validated for jet transverse momenta up to 1 TeV to the level of a few percent using several in situ techniques by comparing a well-known reference such as the recoiling photon pT, the sum of the transverse momenta of tracks associated to the jet, or a system of low-pT jets recoiling against a high-pT jet. More sophisticated jet calibration schemes are presented based on calorimeter cell energy density weighting or hadronic properties of jets, aiming for an improved jet energy resolution and a reduced flavour dependence of the jet response. The systematic uncertainty of the jet energy determined from a combination of in situ techniques is consistent with the one derived from single hadron response measurements over a wide kinematic range. The nominal corrections and uncertainties are derived for isolated jets in an inclusive sample of high-pT jets. Special cases such as event topologies with close-by jets, or selections of samples with an enhanced content of jets originating from light quarks, heavy quarks or gluons are also discussed and the corresponding uncertainties are determined. © 2013 CERN for the benefit of the ATLAS collaboration

Measurement of the inclusive and dijet cross-sections of b-jets in pp collisions at sqrt(s) = 7 TeV with the ATLAS detector

The inclusive and dijet production cross-sections have been measured for jets containing b-hadrons (b-jets) in proton-proton collisions at a centre-of-mass energy of sqrt(s) = 7 TeV, using the ATLAS detector at the LHC. The measurements use data corresponding to an integrated luminosity of 34 pb^-1. The b-jets are identified using either a lifetime-based method, where secondary decay vertices of b-hadrons in jets are reconstructed using information from the tracking detectors, or a muon-based method where the presence of a muon is used to identify semileptonic decays of b-hadrons inside jets. The inclusive b-jet cross-section is measured as a function of transverse momentum in the range 20 < pT < 400 GeV and rapidity in the range |y| < 2.1. The bbbar-dijet cross-section is measured as a function of the dijet invariant mass in the range 110 < m_jj < 760 GeV, the azimuthal angle difference between the two jets and the angular variable chi in two dijet mass regions. The results are compared with next-to-leading-order QCD predictions. Good agreement is observed between the measured cross-sections and the predictions obtained using POWHEG + Pythia. MC@NLO + Herwig shows good agreement with the measured bbbar-dijet cross-section. However, it does not reproduce the measured inclusive cross-section well, particularly for central b-jets with large transverse momenta.Comment: 10 pages plus author list (21 pages total), 8 figures, 1 table, final version published in European Physical Journal

Search for displaced vertices arising from decays of new heavy particles in 7 TeV pp collisions at ATLAS

We present the results of a search for new, heavy particles that decay at a significant distance from their production point into a final state containing charged hadrons in association with a high-momentum muon. The search is conducted in a pp-collision data sample with a center-of-mass energy of 7 TeV and an integrated luminosity of 33 pb^-1 collected in 2010 by the ATLAS detector operating at the Large Hadron Collider. Production of such particles is expected in various scenarios of physics beyond the standard model. We observe no signal and place limits on the production cross-section of supersymmetric particles in an R-parity-violating scenario as a function of the neutralino lifetime. Limits are presented for different squark and neutralino masses, enabling extension of the limits to a variety of other models.Comment: 8 pages plus author list (20 pages total), 8 figures, 1 table, final version to appear in Physics Letters