Glass transition in fullerenes: mode-coupling theory predictions

We report idealized mode-coupling theory results for the glass transition of ensembles of model fullerenes interacting via phenomenological two-body potentials. Transition lines are found for C60, C70 and C96 in the temperature-density plane. We argue that the observed glass-transition behavior is indicative of kinetic arrest that is strongly driven by the inter-particle attraction in addition to excluded-volume repulsion. In this respect, these systems differ from most standard glass-forming liquids. They feature arrest that occurs at lower densities and that is stronger than would be expected for repulsion-dominated hard-sphere-like or Lennard-Jones-like systems. The influence of attraction increases with increasing the number of carbon atoms per molecule. However, unrealistically large fullerenes would be needed to yield behavior reminiscent of recently investigated model colloids with strong short-ranged attraction (glass-glass transitions and logarithmic decay of time-correlation functions).Comment: 10 pages, 5 figure

Diagrammatic method for theory of magnetic and resistive properties of manganites

Effective field theory of magnetic and resistive properties of manganites with account of strong Hund exchange coupling and electron-phonon interactions has been evolved under the strong Hund coupling condition. In parallel with Lang-Firsov unitary transformation of the zeroth Hamiltonian, we have realized the diagonalization of Hund's Hamiltonian neglecting the upper triplet. The diagram techniques taking into account the quantum spin fluctuations of lower quintet and hole state with spin S=3/2 was developed. The magnetic structure of the ground state and an influence of electron-phonon interaction have been analyzed using the first nonvanishing approximation of perturbation theory. The calculated temperature dependence of resistivity agrees well with experimental data including these obtained in applied magnetic field.Comment: 44 pages, 14 figure

Синтез многоцелевых фторполимер- и полианилинсодержащих нанокомпозитов и их применение в биосепарации, биоанализе и диагностике

Traditional and improved methods of producing composite supports modified with nanolayers of fluoropolymers and polyanilines are reviewed. The methods provide the localization of the polymerization process at the surface layers of the carrier and additional functionality of the produced nanosystems. The effectiveness of the obtained materials in different fields of bioseparation and bioanalysis has been demonstratedРассмотрены традиционные и усовершенствованные способы получения композиционных носителей, модифицированных нанослоями фторполимеров и полианилинов, обеспечивающие локализацию процесса полимеризации в поверхностных слоях носителя и придание получаемым наносистемам дополнительной функциональности. Продемонстрирована эффективность применения полученных композитов в биосепарации и в биоаналитических целях

Анализ возможности увеличения дальности стрельбы перспективных управляемых ракет для отечественных реактивных систем залпового огня

The article considers a possibility to increase a flying range of the perspective rockets equipped with the control unit with aerodynamic controllers for the multiple launch rocket systems “Smerch”.To increase a flying range and reduce a starting mass of the rocket, the paper studies a possibility to replace the single-mode rocket engine used in the solid-fuel rocket motor for the direct-flow propulsion jet engine (DFPJE) with not head sector air intakes. The DFPJE is implemented according to the classical scheme with a fuel charged in the combustion chamber. A separated solid propellant starting accelerator provides the rocket acceleration to reach a speed necessary for the DFPJE to run.When designing the DFPJE a proper choice of not head air intake parameters is one of the most difficult points. For this purpose a COSMOS Flow Simulation software package and analytical dependences were used to define the following: a boundary layer thickness where an air intake is set, maximum permissible and appropriate angles of attack and deviation angles of controllers at the section where the DFPJE works, and some other parameters as well.Calculation of DFPJE characteristics consisted in determining parameters of an air-gas path of the propulsion system, geometrical sizes of the pipeline flow area, sizes of a fuel charge, and dependence of the propulsion system impulse on the flight height and speed. Calculations were performed both in thermodynamic statement of problem and in using software package of COSMOS Flow Simulation.As a result of calculations and design engineering activities the air intake profile is created and mass-dimensional characteristics of DFPJE are defined. Besides, calculations of the starting solid fuel accelerator were carried out. Further design allowed us to create the rocket shape, estimate its mass-dimensional characteristics, and perform ballistic calculations, which proved that achieving a range of 120 km for the rocket is possible.Thus, with restrictions imposed by the control unit, application of DFPJE allows us to increase a flying range of the rocket more than by 30% in comparison with the existing domestic samples.Предложен способ повышения дальности стрельбы перспективной управляемой ракеты для отечественной реактивной системы залпового огня за счет применения прямоточного воздушно-реактивного двигателя и блока управления. Разработана компоновочная схема ракеты и проведены расчеты прямоточного воздушно-реактивного двигателя с использованием методов математического моделирования и пакетов прикладных программ, подтверждающие возможность реализации предложенного технического решения. Получены конкретные значения повышения дальности стрельбы и показана возможность улучшения характеристик ракеты для отечественной реактивной системы залпового огня до уровня зарубежных аналогов. DOI: 10.7463/aersp.0315.078198

Technical Note: Chemistry-climate model SOCOL: version 2.0 with improved transport and chemistry/microphysics schemes

International audienceWe describe version 2.0 of the chemistry-climate model (CCM) SOCOL. The new version includes fundamental changes of the transport scheme such as transporting all chemical species of the model individually and applying a family-based correction scheme for mass conservation for species of the nitrogen, chlorine and bromine groups, a revised transport scheme for ozone, furthermore more detailed halogen reaction and deposition schemes, and a new cirrus parameterisation in the tropical tropopause region. By means of these changes the model manages to overcome or considerably reduce deficiencies recently identified in SOCOL version 1.1 within the CCM Validation activity of SPARC (CCMVal). In particular, as a consequence of these changes, regional mass loss or accumulation artificially caused by the semi-Lagrangian transport scheme can be significantly reduced, leading to much more realistic distributions of the modelled chemical species, most notably of the halogens and ozone

Elastic Mid-Infrared Light Scattering: a Basis for Microscopy of Large-Scale Electrically Active Defects in Semiconducting Materials

A method of the mid-IR-laser microscopy has been proposed for the investigation of the large-scale electrically and recombination active defects in semiconductors and non-destructive inspection of semiconductor materials and structures in the industries of microelectronics and photovoltaics. The basis for this development was laid with a wide cycle of the investigations on the low-angle mid-IR-light scattering in semiconductors. The essence of the technical idea was to apply the dark-field method for spatial filtering of the scattered light in the scanning mid-IR-laser microscope. This approach enabled the visualization of large-scale electrically active defects which are the regions enriched with ionized electrically active centers. The photoexcitation of excess carriers within a small volume located in the probe mid-IR-laser beam enabled the visualization of the large-scale recombination-active defects like those revealed in the optical or electron beam induced current methods. Both these methods of the scanning mid-IR-laser microscopy are now introduced in detail in the present paper as well as a summary of techniques used in the standard method of the lowangle mid-IR-light scattering itself. Besides the techniques for direct observations, methods for analyses of the defect composition associated with the mid-IR-laser microscopy are also discussed in the paper.Comment: 44 pages, 13 figures. A good oldi

Влияние поли- N-винилкапролактама на ферментативную активность трипсина

It is known that some synthetic polymers can enhance the stability of some proteins including enzymes against thermal denaturation. An important example of such behaviour is poly-N-vinylcaprolactam (PVC), although the mechanism of this phenomenon is not fully understood. This paper deals with this problem with the system PVC-trypsin as an example. PVC is a polymer, which has lower critical solution temperature (LCST) in aqueous solution. It is shown that the rate of enzymatic hydrolysis of a substrate – benzoyl arginine – n-nitroanilide (BAPNA) – with trypsin in aqueous solutions of PVC at 25ºC is higher than that in the buffer solution. It is supposed that this effect is a consequence of the complex formation of trypsin with PVC affecting the conformation of the protein and binding of the substrate. The complexation brings about a decrease of the Michaelis constant and an increase of the rate of the biocatalyst interaction with the substrate. It is found that the activity of trypsin depends on the ratio of the enzyme to the substrate. The complexation of trypsin to poly-N-vinylcaprolactam can have influence on the enzymatic activity of the protein at temperatures above LCST, as well as on trypsin trapping in the precipitating polymer. It is noted that, when one determines the enzyme activity by spectral methods, it is necessary to take into account the possibility of complex formation of the polymer with another substance in the reaction system, which can cause errors.Показано, что поли- N -винилкапролактам увеличивает скорость гидролиза субстрата бензоил-аргинин пара-нитроанилида трипсином при 250С. Предполагается, что найденный эффект является следствием комплексообразования белка с полимером, влияющего на конформацию фермента и вызывающего снижение константы Михаэлиса и увеличение Vmax

Характеризация наночастиц кристаллического кремния, легированного железом, и их модификация цитрат-анионами для использования in vivo

Objectives. This paper presents data on the development and study of the structural properties of iron-doped crystalline silicon (nc-Si/SiOx/Fe) nanoparticles obtained using the plasma-chemical method for application in magnetic resonance imaging diagnostics and treatment of oncological diseases. This work aimed to use a variety of analytical methods to study the structural properties of nc-Si/SiOx/Fe and their colloidal stabilization with citrate anions for in vivo applications.Methods. Silicon nanoparticles obtained via the plasma-chemical synthesis method were characterized by laser spark emission spectroscopy, atomic emission spectroscopy, Fouriertransform infrared spectroscopy, and X-ray photoelectron spectroscopy. The hydrodynamic diameter of the nanoparticles was estimated using dynamic light scattering. The toxicity of the nanoparticles was investigated using a colorimetric MTT test for the cell metabolic activity. Elemental iron with different Fe/Si atomic ratios was added to the feedstock during loading.Results. The particles were shown to have a large silicon core covered by a relatively thin layer of intermediate oxides (interface) and an amorphous oxide shell, which is silicon oxide with different oxidation states SiOx (0 ≤ x ≤ 2). The samples had an iron content of 0.8–1.8 at %. Colloidal solutions of the nanoparticles stabilized by citrate anions were obtained and characterized. According to the analysis of the cytotoxicity of the modified nanosilicon particles using monoclonal K562 human erythroleukemia cells, no toxicity was found for cells in culture at particle concentrations of up to 5 µg/mL.Conclusions. Since the obtained modified particles are nontoxic, they can be used in in vivo theranostic applications.Цели. В работе приводятся данные по разработке и изучению структурных свойств полученных плазмохимическим методом наночастиц кремния nc-Si/SiOx/Fe, легированных железом. Цель работы – исследование свойств наночастиц кремния, легированных железом, комплексом аналитических методов и их стабилизация цитрат-анионами для применения в диагностике методом магнитно-резонансной томографии и лечении онкологических заболеваний.Методы. Наночастицы кремния, полученные плазмохимическим методом синтеза, были охарактеризованы лазерно-искровым эмиссионным методом, методом атомной эмиссионной спектроскопии, Фурье-ИК-спектроскопией, рентгеновской фотоэлектронной спектроскопией. Гидродинамический диаметр наночастиц оценивали методом динамического светорассеяния. Исследование токсичности наночастиц проводили с помощью колориметрического МТТ теста на метаболическую активность клеток. В исходное сырье при загрузке добавляли элементарное железо с разным атомным соотношением Fe/Si.Результаты. Было показано, что частица имеет кремниевое ядро с аморфной оксидной оболочкой, представляющей собой оксиды кремния с разной степенью окисления SiO x (0 ≤ x ≤ 2). Содержание железа в образцах составило от 0.8 до 1.8 ат. %. Были получены и охарактеризованы коллоидные растворы наночастиц, стабилизированные цитрат-анионами. Анализ цитотоксичности модифицированных частиц нанокремния с использованием моноклонизированных клеток эритролейкоза человека К562 показал отсутствие токсичности для клеток в культуре при концентрации частиц до 5 мкг/мл.Выводы. Полученные модифицированные частицы не обладают токсичностью, поэтому их можно рекомендовать для использования в in vivo приложениях для тераностик

Quantum phase transitions and thermodynamic properties in highly anisotropic magnets

The systems exhibiting quantum phase transitions (QPT) are investigated within the Ising model in the transverse field and Heisenberg model with easy-plane single-site anisotropy. Near QPT a correspondence between parameters of these models and of quantum phi^4 model is established. A scaling analysis is performed for the ground-state properties. The influence of the external longitudinal magnetic field on the ground-state properties is investigated, and the corresponding magnetic susceptibility is calculated. Finite-temperature properties are considered with the use of the scaling analysis for the effective classical model proposed by Sachdev. Analytical results for the ordering temperature and temperature dependences of the magnetization and energy gap are obtained in the case of a small ground-state moment. The forms of dependences of observable quantities on the bare splitting (or magnetic field) and renormalized splitting turn out to be different. A comparison with numerical calculations and experimental data on systems demonstrating magnetic and structural transitions (e.g., into singlet state) is performed.Comment: 46 pages, RevTeX, 6 figure