In this work, the nuclear magnetic resonance (NMR) and IR spectroscopic markers of the complexation between 5-fluorouracil (5-FU) and β-cyclodextrin (β-CD) in solid state and in aqueous solution are ...investigated. In the attenuated total reflectance(ATR) spectra of 5-FU/β-CD products obtained by physical mixing, kneading and co-precipitation, we have identified the two most promising marker bands that could be used to detect complex formations: the C=O and C-F stretching bands of 5-FU that experience a blue shift by ca. 8 and 2 cm
upon complexation. The aqueous solutions were studied by NMR spectroscopy. As routine NMR spectra did not show any signs of complexation, we have analyzed the diffusion attenuation of spin-echo signals and the dependence of the population factor of slowly diffusing components on the diffusion time (diffusion NMR of pulsed-field gradient (PFG) NMR). The analysis has revealed that, at each moment, ~60% of 5-FU molecules form a complex with β-CD and its lifetime is ca. 13.5 ms. It is likely to be an inclusion complex, judging from the independence of the diffusion coefficient of β-CD on complexation. The obtained results could be important for future attempts of finding better methods of targeted anticancer drug delivery.
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IZUM, KILJ, NUK, PILJ, PNG, SAZU, UL, UM, UPUK
Assessing the environmental performance of hydrogen infrastructures is essential for determining their practical viability. Previous optimization approaches for hydrogen networks have focused on ...optimizing a single environmental metric in conjunction with the economic performance. This approach is inadequate as it may leave relevant environmental criteria out of the analysis. We propose herein a novel framework for optimizing hydrogen supply chains (SC) according to several environmental indicators. Our method comprises two steps. In step one, we formulate a multi-objective mixed-integer linear program (MILP) that accounts for the simultaneous minimization of the most relevant life cycle assessment (LCA) impacts. Principal Component Analysis (PCA) is next employed in the post-optimal analysis of the MILP in order to facilitate the interpretation and analysis of its solution space. We demonstrate the capabilities of this approach through its application to the design of the future (potential) hydrogen SC in Spain.
► New method for optimizing hydrogen infrastructures considering several LCA metrics. ► A case study based on the future SC to be established in Spain was solved. ► Several LCA impacts of the hydrogen SC are redundant. ► Our method guides decision-makers toward the adoption of more sustainable designs.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UL, UM, UPCLJ, UPUK
The heterometallic complex RuNO(NO
2
)
4
OHNi(En)
2
was prepared by the reaction of RuNO(NO
2
)
4
OH
2−
with Ni
2+
in the presence of a small excess of ethylenediamine. According to single-crystal ...XRD, the ruthenium fragment is coordinated to the nickel atom through μ-OH and the bidentate (N, O) nitro-ligand. Bidentate ethylenediamine ligands complete the coordination sphere of nickel. The thermal decomposition of the complex in reductive atmosphere with the heating rate of 1 K min
−1
allowed the preparation of a single-phase Ni
0.5
Ru
0.5
solid solution. The crystallite size of the prepared nanoalloy varies in the range of 21-29 nm. The catalytic properties of the prepared nanoalloy in the CO methanation reaction closely resemble those of pure nickel. Yet, in the side reaction of CO to CO
2
oxidation, the Ni
0.5
Ru
0.5
solid solution demonstrates greater activity in the low-temperature range.
Thermal decomposition of the novel heterometallic complex RuNO(NO
2
)
4
OHNi(En)
2
results in a single-phase metastable solid solution Ni
0.5
Ru
0.5
. The catalytic activity of the prepared nanoalloy in the CO methanation reaction was demonstrated.
Second-order phase transformation in double complex salt (DCS) Pd(NH
3
)
4
RuNO(NO
2
)
4
OH was examined by DSC, single-crystal diffraction and powder diffraction. All data confirm the reversible ..."order-disorder" phase transition without an experimentally detected sharp volume change in the temperature range of 343-363 K. At low temperature, the less symmetric triclinic phase (
P
1&cmb.a.line;) is stable, while the monoclinic phase (
P
2/
m
) is stable at high temperature. The main difference between crystal structures is the disorder of the ruthenium anion in the monoclinic phase due to the presence of the ruthenium atom in a special position. The additional symmetry plane in the
P
2/
m
phase includes ON-Ru-O atoms, resulting in the rotational disorder of NO
2
groups. The entropy of transformation determined by differential scanning calorimetry corresponds to order-disorder transformation with a 3-fold increase in microstate number.
A reversible order-disorder phase transition in Pd(NH
3
)
4
RuNO(NO
2
)
4
OH in the temperature range of 370-390 K was confirmed by DSC, single crystal and powder diffraction data.
We consider the inverse multifactor source problem for a uniformly parabolic equation with integral overdetermination conditions and study the existence, uniqueness, and stability of a solution. We ...obtain two forms of sufficient conditions for the unique solvability and present examples of inverse problems satisfying the assumptions of the proved theorems.
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DOBA, EMUNI, FIS, FZAB, GEOZS, GIS, IJS, IMTLJ, IZUM, KILJ, KISLJ, MFDPS, NLZOH, NUK, OBVAL, OILJ, PILJ, PNG, SAZU, SBCE, SBJE, SBMB, SBNM, SIK, UILJ, UKNU, UL, UM, UPUK, VKSCE, ZAGLJ
The processes of oxidation of metal fittings in reinforced concrete structures after a long-term operation are studied using the methods of mathematical modeling. In the calculations, the B25 (M350) ...concrete, from which monolithic foundations, floor slabs, columns, beams, monolithic walls and other responsible structures are manufactured was used. The corrosion process is a result of oxygen reduction with the formation of an oxide layer, which leads to a gradual fracture of concrete, that is taken into account by a scalar damage model. The influence of the oxide layer thickness on the pressure, normal and tangential stresses at the reinforcement–concrete boundary is determined. The conditions, under which the critical corrosion fracture of the concrete structure has not been reached, are determined. The structure damage decreases with an increase in the diameter of the reinforcement, a decrease in the thickness of the oxide layer as well as the total oxygen content in the concrete structure.
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DOBA, EMUNI, FIS, FZAB, GEOZS, GIS, IJS, IMTLJ, IZUM, KILJ, KISLJ, MFDPS, NLZOH, NUK, OILJ, PILJ, PNG, SAZU, SBCE, SBJE, SBMB, SBNM, UILJ, UKNU, UL, UM, UPUK, VKSCE, ZAGLJ
Background. Autism spectrum disorder (ASD) is a lifelong pervasive developmental disorder affecting subjects’ emotions, will, and cognition, and inhibiting their social adaptation. Objective. To ...define directions and methods for psychological assistance to autistic people that would let them achieve higher self-actualization and independence, and avoid social maladaptation. Design. The following methods were used: analysis of the life histories and catamneses of autistic individuals; participant observation of their behavior; analysis of materials (text summaries) of psychological consulting with families who have autistic members; analysis of materials from remedial sessions with people with autism and developmental disorders. Research participants were autistic individuals age 12 years or more at the beginning and up to 38–40 years at the end. Results. The long-term manifestations of autistic development in emotions, will, and cognition are described. These manifestations affect subjects’ adaptation and independence negatively, even in cases of remarkable progress. Two important aspects of psychological assistance are: a) mastering of skills; b) improving comprehension of social relationships, one’s own psychological world, and other people’s minds. The author proposes some methods of psychological remedial work and insists that rules for social interaction should not be learned mechanically. Conclusions. The general principles of psychological assistance to autistic individuals are: (a) encouraging their long-term activity jointly with others; (b) providing a well-organized and thoughtful social environment where the activity takes place. Autistic persons often need special assistance to become successfully engaged in a more active and more complex social environment. The present work may be useful for professionals working with people with special needs.
► A new method to reduce the computational expense of strategic supply chain planning models. ► The method is based on a relaxation of some integer variables. ► The case study is based on the ...Argentinean sugar cane industry. ► The proposed method provides solutions with less than 3% of optimality gap in a fraction of time spent by rigorous branch and cut methods. ► Sugar price has the largest effect on the economic performance and configuration of the network.
In this article, we propose a new method to reduce the computational burden of strategic supply chain (SC) planning models that provide decision support for public policy makers. The method is based on a rolling horizon strategy where some of the integer variables in the mixed-integer programming model are treated as continuous. By comparing with rigorous solutions, we show that the strategy works efficiently. We illustrate the capabilities of the approach presented by its application to a SC design problem related to the sugar cane industry in Argentina. The case study involves determining the number and type of production and storage facilities to be built in each region of the country so that the ethanol and sugar demand is fulfilled and the economic performance is maximized.
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GEOZS, IJS, IMTLJ, KILJ, KISLJ, NUK, OILJ, PNG, SAZU, SBCE, SBJE, UL, UM, UPCLJ, UPUK
Currently, general digitalization has not spared the sphere of arbitration. What are the advantages and disadvantages of introducing digital technologies, how has COVID-19 influenced the work of ...leading arbitration institutions, does digitalization imply the delocalization of ICA, and does a “digital arbitrator” have a future? Alexey A. Kostin and Alexander V. Grebelsky answered these and other questions from Maxim I. Inozemtsev, Editor-in-Chief of the Digital Law Journal.
We find two type conditions sufficient for unique solvability of inverse problem of source determination in degenerate parabolic equation with two independent variables.
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