Structural data of phenanthrene-9,10-dicarbonitriles

In this data article, we present the single-crystal XRD data of phenanthrene-9,10-dicarbonitriles. Detailed structure analysis and photophysical properties were discussed in our previous study, "Intermolecular interactions-photophysical properties relationships in phenanthrene-9,10-dicarbonitrile assemblies" (Afanasenko et al., 2020). The data include the intra- and intermolecular bond lengths and angles. (c) 2019 The Author(s). Published by Elsevier Inc. This is an open access article under the CC BY license (http://creativecommons.org/licenses/by/4.0/)

C,N-chelated diaminocarbene platinum(II) complexes derived from 3,4-diaryl-1H-pyrrol-2,5-diimines and cis-dichlorobis(isonitrile)platinum(II):Synthesis, cytotoxicity, and catalytic activity in hydrosilylation reactions

The reaction of 3,4-diaryl-1H-pyrrol-2,5-diimines with cis-dichlorobis(isonitrile)platinum(II) affords the C,N-chelated diaminocarbene platinum(II) complexes, which have been fully characterized including molecular spectroscopy, single crystal X-ray diffraction and DFT calculations. The obtained platinum(II) complexes are effective catalysts for the hydrosilylation of alkynes and alkenes. Thus, the reaction of phenylacetylene with triethoxysilane leads to the formation of α- and β-(E)-vinylsilanes, generating TON's in the range of 103 to 104 and TOF's in the range of 102 to 103 h−1. Also, the cross-linked silicones, possessing the luminescence properties, were obtained by the hydrosilylation reaction of vinyl- and hydride-containing polysiloxanes. Additionally, the efficiency of diaminocarbene platinum(II) complexes against CH1/PA-1, SW480, and A549 cancer cell lines has been demonstrated by in vitro cytotoxicity studies.peerReviewe

Structures and photophysical properties of 3,4-diaryl-1H-pyrrol-2,5-diimines and 2,3-diarylmaleimides

Structural features of 3,4-diaryl-1H-pyrrol-2,5-diimines and their derivatives have been studied by molecular spectroscopy techniques, single-crystal X-ray diffraction, and DFT calculations. According to the theoretical calculations, the diimino tautomeric form of 3,4-diaryl-1H-pyrrol-2,5-diimines is more stable in solution than the imino-enamino form. We also found that the structurally related 2,3 exist in the solid state in the dimeric diketo form. 3,4-Diary1-1H-pyrrol-2,5-diimines and 2,3-diarylmaleimides exhibit fluorescence in the blue region of the visible spectrum. The fluorescence spectra have large Stokes shifts. Aryl substituents at the 3,4-positions of 1H-pyrrol-2,5-diimine do not significantly affect fluorescence properties. The insertion of donor substituents into 2,3diarylmaleimides leads to bathochromic shift of emission bands with hyperchromic effect. (C) 2017 Elsevier B.V. All rights reserved

ДОСЛІДЖЕННЯ ГЕОМЕТРИЧНИХ ПАРАМЕТРІВ ГАЛЬМОВИХ КОЛОДОК ВАНТАЖНИХ ВАГОНІВ ЗА ШКІДЛИВОГО ЗНОСУ

Purpose. This study aims to determine the geometric parameters of the brake pads of freight cars under hazardous wear. Methodology. A set of operational and theoretical studies concerning the occurrence of hazardous wear, which changes the geometric parameters of the useful contact area of the brake pads of freight cars at different established gaps between the pad and the wheel, which significantly impairs the effectiveness of train braking. Using the collected statistical material, computer mathematical modeling of the upper hazardous wear at different gaps was performed and the negative factors affecting the brake system were identified. MathCAD and AutoCAD software was used. Findings. As a result of inspections of the mechanical part of the brakes, attention was paid to the abnormal wear of the brake pads of the freight cars, which is formed by the fact that the common gravity center of the pad and the shoe, placed on the pendular suspension, do not coincide with the center of the hole in brake beam king post with any pads. In order to investigate possible causes of abnormal wear of the brake pads, their real images and theoretical schemes are given, which allow to establish the causes of the formation of abnormal wear of the pads at different gaps between the pad and the wheel and to determine their change of geometrical parameters that affect the useful contact area. When comparing the results of calculations according to the coordinate method performed in the MathCAD software environment and the graphic method (in AutoCAD), for determining the geometric parameters of the formation of the upper hazardous pad wear, depending on the regulatory pad wear between the wheel and the brake pad, it is theoretically proved that the error between them does not exceed 5–7%. Originality. For the first time, the principles of the methodology for determining the geometric parameters of the useful contact area of the pads with the formation of upper hazardous wear, depending on the gap between the wheel and the brake shoe, were formulated using coordinate and graphical methods. Practical value. It is advisable to apply the results of the research obtained in the work in the design and technological departments and bureaus when designing both mechanical brake systems for the undercarriage of innovative cars and for improvement of the cars currently operated at the railways.Цель. Это исследование направлено на определение геометрических параметров тормозных колодок грузовых вагонов при вредном износе. Методика. Выполнен комплекс эксплуатационных и теоретических исследований по возникновению вредного износа, из-за которого меняются геометрические параметры полезной площади контакта тормозных колодок грузовых вагонов при различных установленных нормативных зазорах между колодкой и колесом, что существенно ухудшает эффективность торможения поездов. С помощью собранного статистического материала выполнено компьютерное математическое моделирование верхней вредной стёртости при различных зазорах, а также определены негативные факторы, влияющие на работу тормозной системы. Использовано программное обеспечение MathCAD и AutoCAD. Результаты. В ходе обследований механической части тормозов было обращено внимание на ненормативный износ тормозных колодок грузовых вагонов, который образуется от того, что общий центр тяжести колодки и башмака, которые расположены на маятниковой подвеске, не совпадают с центром отверстия в распорке триангеля при любых колодках. Для исследования возможных причин возникновения ненормативного износа тормозных колодок при различных зазорах между колодкой и колесом приведены их реальные изображения и теоретические схемы, которые позволяют также определить изменение их геометрических параметров, влияющих на полезную площадь контакта. При сравнении результатов расчетов по координатному методу, выполненных в программной среде MathCAD, и по графическому (в AutoCAD), по определению геометрических параметров образования верхнего вредного износа колодки в зависимости от нормативного зазора между колесом и тормозной колодкой теоретически доказано, что погрешность между ними не превышает 5–7 %. Научная новизна. Впервые сформулированы основы методологии определения геометрических параметров полезной площади контакта колодок при образовании верхнего вредного износа в зависимости от зазора между колесом и тормозной колодкой с использованием координатного и графического методов. Практическая значимость. Результаты научных исследований, полученных в работе, целесообразно применять в конструкторских и технологических отделах и бюро при проектировании как механических тормозных систем ходовых частей инновационных вагонов, так и для совершенствования вагонов, которые сейчас эксплуатируются на железной дороге.Мета. Це дослідження спрямоване на визначення геометричних параметрів гальмових колодок вантажних вагонів за шкідливого зносу. Методика. Виконано комплекс експлуатаційних і теоретичних досліджень щодо виникнення шкідливого зносу, який змінює геометричні параметри корисної площі контакту гальмових колодок вантажних вагонів за різних встановлених нормативних зазорів між колодкою і колесом, що суттєво погіршує ефективність гальмування поїздів. За допомогою зібраного статистичного матеріалу виконано комп’ютерне математичне моделювання верхньої шкідливої стертості за різних зазорів і визначено негативні фактори, які впливають на роботу гальмової системи. Використано програмне забезпечення MathCAD і AutoCAD. Результати. У ході обстежень механічної частини гальм було звернено увагу на ненормативний знос гальмових колодок вантажних вагонів, який утворюється від того, що загальний центр ваги колодки й башмака, які розташовані на маятниковому підвішуванні, не збігаються з центром отвору в розпірці тріангеля на будь-яких колодках. Для дослідження можливих причин виникнення ненормативного зносу гальмових колодок за різних зазорів між колодкою і колесом наведено їх реальні зображення й теоретичні схеми, які дають змогу також визначити зміну їх геометричних параметрів, що впливають на корисну площу контакту. Під час порівняння результатів розрахунків за координатним методом, виконаних у програмному середовищі MathCAD, і графічним – в AutoCAD, з визначення геометричних параметрів утворення верхнього шкідливого зносу колодки залежно від нормативного зазору між колесом і гальмовою колодкою теоретично доведено, що похибка між ними не перевищує 5–7 %. Наукова новизна. Уперше сформульовано засади методології визначення геометричних параметрів корисної площі контакту колодок за утвореного верхнього шкідливого зносу залежно від зазору між колесом і гальмовою колодкою з використання координатного та графічного методів. Практична значимість. Результати наукових досліджень, які отримані в роботі, доцільно застосовувати в конструкторських та технологічних відділах і бюро під час проектування, як механічних гальмових систем ходових частин інноваційних вагонів, так і для вдосконалення вагонів, які зараз експлуатуються на залізниці

<i>Solanum nigrum</i> L. is a potato spindle tuber viroid reservoir

Background. Among the weeds of the Solanaceae family, a potential viroid infection reservoir, black nightshade (Solanum nigrum L.), is ubiquitous in Russia.Materials and methods. Molecular diagnostics of the viroid was performed using RT-PCR with the P3/P4 primers specific for PSTVd and 6Pospi F/R specific for the Pospiviroidae family of viroids. The amplification products were cloned and sequenced, and the nucleotide sequences were deposited in the GenBank database.Results. RT-PCR showed that 80–100% of plants were infected with PSTVd. The cDNA amplicons of two plants from Nizhny Novgorod (Sn1 and Sn2) and one plant from Tula Province (Sn3) were cloned (3 clones each) and sequenced. An analysis of the nucleotide variability in the clones revealed significant genetic differences between the PSTVd strains, independent of the geographical origin. Mutations U120C and U192C, compared with the reference strain VP35 (LC523658), were found in all 9 clones. The Sn1 isolate was close to the “potato” VP35 isolate and differed from it only by three mutations. The Sn2 isolate was represented by three identical clones and differed from VP35 by nine mutations, while Sn3 had 22 mutations in the region of 49–310 nucleotide positions in total for three clones. After artificial infection of healthy S. nigrum plants in a greenhouse, the presence of PSTVd in infected plants was confirmed and it was proved that the viroid was transmitted by seeds to plants of the next generation.Conclusion. For the first time in externally healthy plants of S. nigrum, widely distributed in the potato fields of Russia (Nizhny Novgorod and Tula Province), the potato spindle tuber viroid, PSTVd, was detected. It was proved that the viroid was preserved in the seeds of S. nigrum and transmitted to their progeny. Genetic heterogeneity of PSTVd strains from S. nigrum plants was found. Two mutations, U120C and U192C, were common for all tested clones of PSTVd strains

Comparative Analysis of Drug Consumption for the Treatment of Epilepsy in Ukraine, Kazakhstan and Belarus

The aim to conduct a comparative analysis of the population's consumption of antiepileptic drugs in the retail pharmaceutical markets of developing countries, including Ukraine, Kazakhstan and Belarus in the period 2016-2020. Materials and methods. The objects of the research were the data of marketing agencies that monitor the domestic pharmaceutical market in the countries under study. In particular, the range of AED in Ukraine was determined using the market research system «Pharmstandard» of the company «Morion». Analytical-comparative, systematic, graphical, logical, mathematical-statistical research methods were used. Results. The results of the study show that the market of antiepileptic drugs in Ukraine, Kazakhstan and Belarus mainly depends on foreign manufacturers, in particular by 60 %, 92 % and 46 % respectively in 2020, and does not meet the needs of the population in accordance with WHO recommendations. It is established that in the market of Ukraine, Kazakhstan during 2016-2019 there is a general trend of increasing retail sales of antiepileptic drugs, which are not included in the WHO Basic List of Essential Medicines, both in natural and in monetary terms. The results of the analysis of retail sales of drugs in the Belarusian market in quantitative and monetary terms indicate an increase in sales of drugs for the treatment of epilepsy, which are included in the WHO Basic List of Essential Medicines. Conclusions. The presence in Ukraine of a difficult situation with the consumption of antiepileptic drugs in comparison with other countries of the reference group indicates the need to implement comprehensive programs to combat the spread of epilepsy and the introduction of models for the rational use of limited health resource

Evaluation of Responses of Potato Cultivars to Potato Spindle Tuber Viroid and to Mixed Viroid/Viral Infection

Potato spindle tuber viroid (PSTVd) is a harmful quarantine disease with wide geographic distribution. To date, experimentally proved resistance or tolerance of potato cultivars to PSTVd has not been reported. The aim of this study was to evaluate responses to four PSTVd strains of 39 modern potato cultivars of different origin. Four PSTVd strains of different origin, the intermediate VP35, VP87, and two sever strains FP10-13 and NicTr-3, deposited in GenBank, were used. Transcripts of these strains were used to inoculate tomato plants of the cv. Rutgers. Before PSTVd inoculation with tomato sap, all plants were tested for viral infection by ELISA. The presence of PSTVd in infected plants was verified by RT-PCR as well as by RT-qPCR at sixty days post-inoculation (dpi). The strain-specificity in the response of cultivars to viroid infection was revealed. Five cultivars were identified in which, after the first inoculation of plants with all PSTVd strains, normal in shape tubers were formed. All plants of the next generation derived from infected but normally shaped tubers showed strong symptoms of disease. PSTVd and mixed viroid/viral infection (PVY + PSTVd, PVM + PSTVd, and PVY + PVS + PSTVd) led to a significant decrease in the number and weight of tubers in most of the cultivars studied