Entropy as an Objective Function of Optimization Multimodal Transportations

This article considers the use of the entropy method in the optimization and forecasting of multimodal transport under conditions of risks that can be determined simultaneously by deterministic, stochastic and fuzzy quantities. This will allow to change the route of transportation in real time in an optimal way with an unacceptable increase in the risk at one of its next stages and predict the redistribution of the load of transport nodes. The aim of this study is to develop a mathematical model for the optimal choice of an alternative route, the best for one or more objective functions in real time. In addition, it is proposed to use this mathematical model to estimate the dynamic change in turnover through intermediate transport nodes, forecasting their loading over time under different conditions that also include long-term risks which are significant in magnitude. To substantiate the feasibility of the proposed mathematical model, the analysis and forecast of cargo turnover through the seaports of Ukraine are presented, taking into account and analysing the existing risks.     

The First Observation of 4f-Luminescence in New Heteronuclear Lanthanide–Germanium Complexes

New lanthanide–germanium complexes with diethylenetriaminepentaacetic acid (DTPA) have been synthesized and were characterized by means of elemental analysis, IR-, UV-absorption and luminescent spectroscopy. The 4f-luminescence of heteronuclear Ln(Ge-DTPA)2 (Ln=Sm, Eu, Tb, Dy) complexes in aqueous solutions was investigated for the first time.     

Preparation of polymer composites on the base of polyurethanes and natural polysaccharides

A series of composites based on segmented polyurethanes (PU) as polymer matrices and natural polysaccharides – cellulose and starch – as fillers have been synthesized. Using IR method and Differential Scanning Calorimetry the peculiarities of the structure of composites and their behavior in the buffer solutions in conditions imitating natural soil environment have been investigated.     

Stable Carbenes as Structural Components of Partially Saturated Sulfur-Containing Heterocycles

Recently, an unusual elongation of the C-S bond was observed experimentally for some sulfur-containing heterocycles. Using a superior ab initio (SCS-MP2/cc-pVTZ) level of theory, we showed that the phenomenon can be explained by a contribution of a donor–acceptor adduct of a carbene with an unsaturated ligand. One may achieve further elongation of the C-S bond, eventually turning it to a coordinate one, by increasing the stability of each part of the system as, e.g., in the utmost case of spiro adducts with Arduengo carbenes. The effect of carbene stability was quantified by employing the isodesmic reactions of carbene exchange.     

Product design based on discrete particle modeling of a fluidized bed granulator

Fluidized bed agglomeration is a process commonly used to construct powdered food or pharmaceuti cal products to improve their instant properties. This works analyzes the influence of a wide range of operating parameters （i.e., fluidization air flow rate, temperature, and liquid injection rate） on growth rate, process stability, and product particle structure. Different granulator configurations （i.e., top spray, Wurster coater, spouted bed） are compared using identical process parameters. The impacts of both pro cess variables and granulator geometry on the fluidization regime, the particle and collision dynamics, and the resulting product structure and corresponding properties are studied in detailed simulations using a discrete particle model （DPM） and labscale agglomeration experiments with amorphous dextrose syrup （DE21）. The combination of numerical and experimental results allows to correlate the kinetics of micro scale particle interactions and the final product properties （i.e., agglomerate structure and strength）. In conclusion, detailed DPM simulations are proven as a valuable tool for knowledgebased product design.     

Synthesis of new 3-(2,2,2-trifluoroethyl)-5-hydroxy-5-(phenylsulfanyl- or phenylsulfonyl-methyl)-1,5-dihydropyrrol-2-ones starting from α,β-unsaturated γ-lactones and primary amines

The paper presents an efficient and straightforward transformation of α,β-unsaturated γ-lactones into 2,2,2-trifluoroethyl substituted γ-lactams, starting from a variety of primary amines. The structures of all new compounds were ascribed using 1D NMR (¹⁹F, ¹H, ¹³C), IR, MS. Selected ¹⁹F, ¹³C NMR and IR data of γ-lactams were compared to those of one which was characterized by X-ray diffraction analysis. The possible mechanism for the formation of γ-lactams is also presented.