Mechanical and piezoelectric properties of pure and modified microtubes of diphenylalanine

The research was carried out using equipment of Ural Center for Shared Use "Modern Nanotechnologies" Ural Federal University with the financial support by the grant of the President of the Russian Federation for young scientists (Contract 14.Y30.17.2294-MK) and the Government of the Russian Federation (Resolution 211, Contract 02.A03.21.0006). Part of this work was developed in the scope of project CICECO-Aveiro Institute of Materials (ref FCT UID/CTM/50011/2013), financed by national funds through the FCT/MEC and, when applicable, cofinanced by FEDER under the PT2020 Partnership

Quality management of pedagogical research

© 2016, Econjournals. All rights reserved.The relevance of the study is reasoned by the positioning of education as a public good and meaningful domain of personality. Socio-economic transformations of modern society affect different social institutions, including education, participating in the development of mechanisms for reproduction of social structure, the formation of socially and economically active individual, creating a competitive situation on the market of educational services and serving as a basis of human resources capital. It claims to improve the quality of educational research that has acquired an interdisciplinary character. The testing of the effectiveness of educational researches’ results is carried out during the experimental work. The purpose of the article is to reveal the contents of experience-experimental work as the subject of quality management of pedagogical research. The leading approaches to the study are system approach that allows identifying of the types and functions of the experimental work and to establish relationships among them, and technological approach that allows developing of a program of experimental work. The paper defines the principles, clarifies the types, identifies functions and describes program and theoretical methods of the experimental work. Also it proposes classification of innovations in the educational system. The paper submissions can be useful for managers and teachers of educational institutions; employees of the centers of advanced training and retraining of personnel in the selection and structuring of the content for the training of scientific and pedagogical staff

Shape change of metal oxide nanoparticles produced by laser ablation in liquid

The equipment of the Ural Center for Shared Use “Modern Nanotechnology” UrFU was used. The work was supported by Government of the Russian Federation (Act 211, Agreement 02.A03.21.0006)

Synthesis of highly stable luminescent molecular crystals based on (E)-2-((3-(ethoxycarbonyl)-5-methyl-4-phenylthiophen-2-yl)amino)-4-oxo-4-(p-tolyl)but-2-enoic acid

Received: 09.12.2021. Revised: 14.12.2021. Accepted: 14.12.2021. Available online: 15.12.2021.The synthesis of (E)-2-((3-(ethoxycarbonyl)-5-methyl-4-phenylthiophen-2-yl)amino)-4-oxo-4-(p-tolyl)but-2-enoic acid was performed. This organic compound was used as a building block for the organic molecular crystals with highly stable photoluminescence at ambient conditions, which has been established during 10 years of exploitation.The authors acknowledge financial support from the Ministry of Science and Higher Education of the Russian Federation (project № 075-15-2021-963)

Shapes change of PbO nanoparticles produced by laser ablation in liquid

Production of non-spherical crystalline nanoparticles by laser ablation in liquid has been demonstrated recently. Here we studied the shape variety of PbO nanoparticles prepared by laser ablation in deionized water and IPA. The key role of water in the formation of PbO non-spherical nanostructures was demonstrated. Only spherical nanoparticles have been obtained in isopropyl alcohol (IPA). PbO non-spherical nanostructures have been formed only in presence of water, which supports the growth mechanism by oxidation. Using mixture of IPA and water in various proportions and revealing the time and temperature dependences of non-spherical nanostructure morphology can be used for controlled growth of PbO non-spherical nanostructures. © Published under licence by IOP Publishing Ltd.Government Council on Grants, Russian FederationMinistry of Science and Higher Education of the Russian Federation: 3.4993.2017/6.7, 3.9534.2017/8.9The work has been supported in part by the Ministry of Science and Higher Education of the Russian Federation (projects 3.9534.2017/8.9 and 3.4993.2017/6.7) and by Government of the Russian Federation (act 211, agreement 02.A03.21.0006). The equipment of the Ural Centre for Shared Use “Modern Nanotechnology” Ural Federal University was used

Does long-term warming affect C and N allocation in a Mediterranean shrubland ecosystem? Evidence from a¹³C and¹⁵N labeling field study

© 2017 In the Mediterranean basin the effects of climate warming on ecosystem functioning will strongly depend on the warming intensity directly but also on its effects on evapotranspiration and nutrient cycling. Climate manipulation experiments under field conditions are a source of unique empirical evidence regarding climate-related modifications of biotic processes. A field night-time warming experiment, simulating the predicted near-future increase in ambient temperatures (+0.3 up to 1 °C), was established in a Mediterranean shrub community located in Porto Conte (Italy) in 2001. After 11 years of continuous treatment, we labeled the dominant shrub Cistus monspeliensis with 13 CO 2 and studied the dynamics of the label allocation between aboveground and belowground pools and fluxes in warmed and ambient plots within 2 weeks of the chasing period. The interactions between C and N metabolism were assessed by parallel labeling of soil with K 15 NO 3. Most of the assimilated 13 C was respired by Cistus shoots (28–51%) within two weeks. Cistus under warming respired more 13 C label and tended to allocate less 13 C to leaves, branches and roots. The higher C and N content in microbial biomass in warming plots, combined with the higher N content in plant tissues and soil, evidenced a greater N mobilization in soil and a better nutrient status of the plants as compared to the ambient treatment. Acceleration of N cycling is probably responsible for higher respiratory C losses, but combined with the reduction in the number of frost days, should also positively affect plant photosynthetic performance. We conclude that, although Cistus plants are already growing in conditions close to their thermal optimum, long-term warming will positively affect the performance of this species, mainly by reducing the nutrient constraints. This positive effect will highly depend on the frequency and amount of rain events and their interactions with soil N content

Low-lying, Rydberg states of polycyclic aromatic hydrocarbons (PAHs) and cyclic alkanes

TD-DFT calculations of low-lying, Rydberg states of a series of polycyclic hydrocarbons and cyclic alkanes are presented. Systematic variations in binding energies and photoelectron angular distributions for the first members of the s, p and d Rydberg series are predicted for increasing molecular complexity. Calculated binding energies are found to be in very good agreement with literature values where they exist for comparison. Experimental angle-resolved photoelectron spectroscopy results are presented for coronene, again showing very good agreement with theoretical predictions of binding energies and also for photoelectron angular distributions. The Dyson orbitals for the small "hollow" carbon structures, cubane, adamantane and dodecahedrane, are shown to have close similarities to atomic s, p and d orbitals, similar to the superatom molecular orbitals (SAMOs) reported for fullerenes, indicating that these low-lying, diffuse states are not restricted to π-conjugated molecules. © 2017 the Owner Societies

Investigation of piezoelectric and elastic properties of diphenylalanine microtubes – oxide nanoparticles composites

The research was carried out using equipment of the UCSU "Modern Nanotechnologies" (UrFU) with the financial support of the grant of the President of the Russian Federation for Young Scientists (MK-2294.2017.2) and the Government of the Russian Federation (Resolution 211, contract 02.A03.21.0006)

A 300-year record of sedimentation in a small tilled catena in Hungary based on δ13C, δ15N, and C/N distribution

Purpose Soil erosion is one of the most serious hazards that endanger sustainable food production. Moreover, it has marked effects on soil organic carbon (SOC) with direct links to global warming. At the same time, soil organic matter (SOM) changes in composition and space could influence these processes. The aim of this study was to predict soil erosion and sedimentation volume and dynamics on a typical hilly cropland area of Hungary due to forest clearance in the early eighteenth century. Materials and methods Horizontal soil samples were taken along two parallel intensively cultivated complex convex-concave slopes from the eroded upper parts at mid-slope positions and from sedimentation in toe-slopes. Samples were measured for SOC, total nitrogen (TN) content, and SOMcompounds (δ13C, δ15N, and photometric indexes). They were compared to the horizons of an in situ non-eroded profile under continuous forest. On the depositional profile cores, soil depth prior to sedimentation was calculated by the determination of sediment thickness. Results and discussion Peaks of SOC in the sedimentation profiles indicated thicker initial profiles, while peaks in C/N ratio and δ13C distribution showed the original surface to be ~ 20 cm lower. Peaks of SOC were presumed to be the results of deposition of SOC-enriched soil from the upper slope transported by selective erosion of finer particles (silts and clays). Therefore, changes in δ13C values due to tillage and delivery would fingerprint the original surface much better under the sedimentation scenario than SOC content. Distribution of δ13C also suggests that the main sedimentation phase occurred immediately after forest clearance and before the start of intense cultivation with maize. Conclusions This highlights the role of relief in sheet erosion intensity compared to intensive cultivation. Patterns of δ13C indicate the original soil surface, even in profiles deposited as sediment centuries ago. The δ13C and C/N decrease in buried in situ profiles had the same tendency as recent forest soil, indicating constant SOM quality distribution after burial. Accordingly, microbiological activity, root uptake, and metabolism have not been effective enough to modify initial soil properties

Software for the frontiers of quantum chemistry:An overview of developments in the Q-Chem 5 package

This article summarizes technical advances contained in the fifth major release of the Q-Chem quantum chemistry program package, covering developments since 2015. A comprehensive library of exchange–correlation functionals, along with a suite of correlated many-body methods, continues to be a hallmark of the Q-Chem software. The many-body methods include novel variants of both coupled-cluster and configuration-interaction approaches along with methods based on the algebraic diagrammatic construction and variational reduced density-matrix methods. Methods highlighted in Q-Chem 5 include a suite of tools for modeling core-level spectroscopy, methods for describing metastable resonances, methods for computing vibronic spectra, the nuclear–electronic orbital method, and several different energy decomposition analysis techniques. High-performance capabilities including multithreaded parallelism and support for calculations on graphics processing units are described. Q-Chem boasts a community of well over 100 active academic developers, and the continuing evolution of the software is supported by an “open teamware” model and an increasingly modular design