Interplay of coupling and superradiant emmision in the optical response of a double quantum dot

We study theoretically the optical response of a double quantum dot structure to an ultrafast optical excitation. We show that the interplay of a specific type of coupling between the dots and their collective interaction with the radiative environment leads to very characteristic features in the time-resolved luminescence as well as in the absorption spectrum of the system. For a sufficiently strong coupling, these effects survive even if the transition energy mismatch between the two dots exceeds by far the emission linewidth.Comment: 9 pages, 5 figures; considerably extended versio

Admittance of CdS nanowires embedded in porous alumina template

CdSnanowires of 10nm diameter, electrodeposited in porous alumina films, had shown a conductance bistability in the past [Appl. Phys. Lett.76, 460 (2000)]. The conductance has a high (ON) and a low (OFF) state. In the ON state, different sets of nanowires display qualitatively different relation between the conductance and capacitance. We propose a model to explain this anomalous behavior. Based on this model, we predict that the inelastic mean free path of electrons in the nanowires is 3–3.5nm at room temperature. This short mean free path may be a consequence of acoustic phonon confinement

Особенности изготовления отливок из алюминиевых сплавов по выжигаемым аддитивным FDM-моделям

This article describes the results of a study aimed at improving production technology of experimental castings from aluminum alloys by investment casting using models produced by 3D printing. The consumable models were produced using fused deposition modeling (FDM). Biodegradable polylactide (PLA) was used as a material for the models. In order to decrease the surface roughness of consumable PLA  model.  chemical  post-treatment  by  dichloromethane  needs  to  be  performed.  After  immersion  of  the  model  into the solvent for 10s, its surface becomes smooth and glossy. Three-point static bending tests of PLA plates demonstrated a mechanical strength of average ~45.1 MPa. A thermomechanical analysis of polylactide demonstrated that in the course of heating of ceramic shell in excess of 150 °C, the polylactide model begins to expand intensively by exerting significant pressure on the ceramic shell. In order to decrease stress during the removal of polylactide model from ceramic mold, the heating time in the range of 150–300 °C needs to be heated to a maximum. The use of hollow consumable casting models with a cellular structure not higher than 30 % is also sensible. The stresses on the shell will not exceed its strength. Characteristic  temperature  properties  of  PLA  plastic  thermal  destruction  were detected using thermogravimetric analysis. Polylactide was established to completely burn out upon  heating  to 500  °C  leaving  no ash residue. Analysis of the results identified the burning modes of polylactide models from ceramic molds. Using a Picaso 3D Designer printer (Russia), the PLA models were printed used for production of experimental castings from aluminum alloys. It was revealed that the surface roughness (Ra) of a casting produced using a consumable model treated by dichloromethane decreases by 81.75 %: from 13.7 to 2.5 μm.Приведены результаты исследований, направленные на совершенствование литейной технологии получения опытно-экспериментальных отливок из алюминиевых сплавов методом литья по выжигаемым моделям, изготовленным с применением 3D-печати. Для создания выжигаемых моделей использовали метод осаждения расплавленной нити (FDM – fused deposition modeling), а в качестве материала моделей был выбран биоразлагаемый материал – полилактид (PLA – polylactide). Установлено, что для уменьшения  шероховатости  выжигаемой  PLA-модели  необходимо  проводить  химическую  постобработку ее поверхности дихлорметаном. В результате окунания модели в растворитель на 10 с она приобретает гладкую и глянцевую поверхность. Испытания механической прочности PLA-пластин на трехточечный статический изгиб показали, что данный показатель составляет в среднем ~ 45,1 МПа. Термомеханический анализ полилактида выявил, что в процессе нагрева керамической оболочки выше 150 °С полилактидная модель начинает интенсивно расширяться, оказывая существенное давление на керамическую оболочку. Для уменьшения напряжений в процессе удаления полилактидной модели из керамической формы необходимо максимально увеличить время нагрева в интервале температур 150–300 °С, а также целесообразно использовать пустотелые выжигаемые модели отливки со степенью заполнения ячеистой структуры не более 30 %. При этом напряжения в оболочке не будут превышать ее прочность. С помощью термогравиметрического анализа выявлены характерные температурные характеристики термодеструкции PLA-пластика. Установлено, что материал из полилактида полностью  выгорает  при нагреве до температуры 500 °С, не оставляя после себя остатков золы. Анализ результатов позволил определить технологические режимы выжигания полилактидных моделей из керамических форм. На принтере Picaso 3D Designer (Россия) были напечатаны PLA-модели, которые  использовали  для  получения  опытно-экспериментальных  отливок  из  алюминиевых  сплавов.  Выявлено, что шероховатость поверхности (Ra)  отливки,  полученной  по  выжигаемой  модели,  обработанной  дихлорметаном,  уменьшается на 81,75 % – с 13,7 до 2,5 мкм

Proposed model for bistability in nanowire nonvolatile memory

Cadmium sulfide nanowires of 10‐nm diameter, electrodeposited in porous anodic alumina films, exhibit an electronic bistability that can be harnessed for nonvolatile memory. The current–voltage characteristics of the wires show two stable conductance states that are well separated (conductances differ by more than four orders of magnitude) and long lived (longevity\u3e1 yr at room temperature). These two states can encode binary bits 0 and 1. It is possible to switch between them by varying the voltage across the wires, thus “writing” data. Transport behavior of this system has been investigated at different temperatures in an effort to understand the origin of bistability, and a model is presented to explain the observed features. Based on this model, we estimate that about 40 trapped electrons per nanowire are responsible for the bistability

Understanding the non-catalytic behavior of human butyrylcholinesterase silent variants: Comparison of wild-type enzyme, catalytically active Ala328Cys mutant, and silent Ala328Asp variant

© 2016 Elsevier Ireland Ltd.Conformational dynamics of wild-type human butyrylcholinesterase (BChE), two mutants of residue Ala328, the catalytically active Ala328Cys, and the catalytically inactive (silent) Ala328Asp, and their interactions with butyrylcholine were studied. The aim was to understand the molecular mechanisms by which point mutations may lead to silent BChE variant or alter catalytic activity. Importance of BChE natural variants is due to medical consequences, i.e. prolonged apnea, following administration of the myorelaxant esters, succinylcholine and mivacurium.Comparison of molecular dynamics (MD) simulations for the three model systems showed that: 1) the active mutant Ala328Cys mutant has some changes in configuration of catalytic residues, which do not prevent binding of butyrylcholine to the active site; 2) in the naturally-occurring silent variant Ala328Asp, the Asp328 carboxylate may either form a salt bridge with Lys339 or a H-bond with His438. In the first case, the Ω-loop swings off the gorge, disrupting the π-cation binding site and the catalytic triad. In the second case, binding of cationic substrates in the catalytic center is also impaired. MD simulations carried out in 0.15 M NaCl, close to physiological ionic strength conditions, favored the second situation. It was seen that Asp328 forms a H-bond with the catalytic triad His438, which in turn disrupts the catalytic machinery. Therefore, we concluded that the Ala328Asp variant is not catalytically active because of that dramatic event. Computational results, consistent with in vitro biochemical data and clinical observations, validate our MD approach

Understanding the non-catalytic behavior of human butyrylcholinesterase silent variants: Comparison of wild-type enzyme, catalytically active Ala328Cys mutant, and silent Ala328Asp variant

© 2016 Elsevier Ireland LtdConformational dynamics of wild-type human butyrylcholinesterase (BChE), two mutants of residue Ala328, the catalytically active Ala328Cys, and the catalytically inactive (silent) Ala328Asp, and their interactions with butyrylcholine were studied. The aim was to understand the molecular mechanisms by which point mutations may lead to silent BChE variant or alter catalytic activity. Importance of BChE natural variants is due to medical consequences, i.e. prolonged apnea, following administration of the myorelaxant esters, succinylcholine and mivacurium. Comparison of molecular dynamics (MD) simulations for the three model systems showed that: 1) the active mutant Ala328Cys mutant has some changes in configuration of catalytic residues, which do not prevent binding of butyrylcholine to the active site; 2) in the naturally-occurring silent variant Ala328Asp, the Asp328 carboxylate may either form a salt bridge with Lys339 or a H-bond with His438. In the first case, the Ω-loop swings off the gorge, disrupting the π-cation binding site and the catalytic triad. In the second case, binding of cationic substrates in the catalytic center is also impaired. MD simulations carried out in 0.15 M NaCl, close to physiological ionic strength conditions, favored the second situation. It was seen that Asp328 forms a H-bond with the catalytic triad His438, which in turn disrupts the catalytic machinery. Therefore, we concluded that the Ala328Asp variant is not catalytically active because of that dramatic event. Computational results, consistent with in vitro biochemical data and clinical observations, validate our MD approach

Multi-functional oilfield production chemicals: maleic-based polymers for gas hydrate and corrosion inhibition

Several chemical problems can occur during the production of oil and gas through flow lines. This includes corrosion, scale deposition and gas hydrate plugging. Three separate chemicals may be needed to treat these issues. Kinetic hydrate inhibitors (KHIs) are used in cold oil or natural gas production flow lines to prevent the formation and plugging of the line with gas hydrates. They are often injected concomitantly with other production chemicals such as corrosion and scale inhibitors. KHIs are specific low molecular weight water-soluble polymers with amphiphilic groups formulated with synergists and solvents. However, many corrosion inhibitors (CIs) are antagonistic to the KHI polymer, severely reducing the KHI performance. It would be preferable and economic if the KHI also could act as a CI. We have explored the use of maleic-based copolymers as KHIs as well as their use as film-forming CIs. KHIs were tested using a natural gas mixture in high pressure rocking cells using the slow constant cooling test method. A terpolymer from reaction of vinyl acetate:maleic anhydride copolymer with cyclohexy lamine and 3,3-di-n-butylaminopropylamine (VA:MA-60% cHex-40% DBAPA), gave excellent performance as a KHI, better than the commercially available poly(N-vinyl caprolactam) (PVCap). CO2 corrosion inhibition was measured by Linear Polarization Resistance (LPR) in a 1 litre CO2 bubble test equipment using C1018 steel coupons. The new terpolymer gave good CO2 corrosion inhibition in 3.6 wt% brine, significantly better than PVCap, but not as good as a commercial imidazoline-based surfactant corrosion inhibitor. The terpolymer also showed good corrosion inhibition efficiency at high salinity conditions, (density 1.12 g/cm3). VA:MA-60% cHex-40% DBAPA shifted the open-circuit potential to more positive values and significantly decreased the corrosion rate.publishedVersio

Thermodynamic properties of isomeric iso-butoxybenzoic acids: Experimental and theoretical study

© 2015 Elsevier B.V. All rights reserved. Standard (p° = 0.1 MPa) molar enthalpies of formation at the temperature T = 298.15 K of the 2-, 3-, and 4-iso-butoxybenzoic acids were measured using the combustion calorimetry. Standard molar enthalpies of vaporization and sublimation were derived from the vapor pressure temperature dependencies measured by the transpiration method. Molar enthalpies of the solid state phase transitions were measured by the DSC. Thermodynamic data on alkoxy substituted benzoic acids available in the literature were collected and combined with own experimental results. This data set on alkoxybenzoic acids was evaluated by using quantum-chemical and group-additivity methods

Vaporization enthalpies of a series of the fluoro- and chloro-substituted methylbenzenes

Vapor pressures of fluorobenzene, chlorobenzene, 2-chloro-, 3-chloro-, and 4-chloro-methylbenzenes, 2-chloro-1,3-dimethylbenzene, 2,6-dichloro-1-methylbenzene were measured by the transpiration method. Molar standard enthalpies of vaporization at the reference temperature were calculated from temperature dependences of vapor pressures. Available literature data on halogenobenzenes were collected and evaluated by using correlation gas-chromatographic method. Simple group-additivity procedure was developed for estimation vaporization enthalpies of mono- and di-halogen-substituted benzenes. © 2014

Thermochemistry of dihalogen-substituted benzenes: Data evaluation using experimental and quantum chemical methods

© 2014 American Chemical Society. Temperature dependence of vapor pressures for 12 dihalogen-substituted benzenes (halogen = F, Cl, Br, I) was studied by the transpiration method, and molar vaporization or sublimation enthalpies were derived. These data together with results available in the literature were collected and checked for internal consistency using structure-property correlations. Gas-phase enthalpies of formation of dihalogen-substituted benzenes were calculated by using quantum-chemical methods. Evaluated vaporization enthalpies in combination with gas-phase enthalpies of formation were used for estimation liquid-phase enthalpies of formation of dihalogen-substituted benzenes. Pairwise interactions of halogens on the benzene ring were derived and used for development of simple group additivity procedures for estimation of vaporization enthalpies, gas-phase, and liquid-phase enthalpies of formation of dihalogen-substituted benzenes