56 research outputs found

    Odessa's Intellectuals In the 1920s: the activities of the All-Ukrainian Committee for the Promotion of Scientists

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    У статті аналізуються усі сфери суспільного життя в Україні у перше десятиліття більшовицького режиму. Досліджується основні напрямків діяльності Всеукраїнського комітету сприяння вченим у 1920 рр. у великому науковому центрі України – Одесі.В статье анализируются все сферы общественной жизни в Украине в первое десятилетие большевистского режима. Исследуется основные направления деятельности Всеукраинского комитета содействия ученым в 1920 в большом научном центре Украины - Одессе.The article analyzes all spheres of public life in Ukraine in the first decade of the Bolshevik regime. The main directions of activity of the All-Ukrainian Committee for the Facilitation of Scientists in 1920 in the large scientific center of Ukraine - Odessa were investigated

    Evidence for the characterisation of the C-H …∏ interaction as a weak hydrogen bond: toluene and chlorobenzene solvates of 2,3,7,8-tetraphenyl-1,9,10-anthyridine

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    The crystal structures of the toluene and chlorobenzene solvates of 2,3,7,8-tetraphenyl-1,9,10-anthyridine are nearly identical save for differences in the mode of solvent inclusion; these differences have an important bearing on the nature of the C-H … ∏ interactions in these structures

    Synthesis, x-ray crystal structures and biological evaluation of some mono- and bi-cyclic 1,3-diazetidin-2-ones: non-natural β -lactam analogues

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    Mono- and bi-cyclic 1,3-diazetidin-2-ones (aza-β -lactams) are synthesised and evaluated as non-natural analogues of β -lactams. The aza-β -lactams are designed on the principle that their reaction with active site serine hydroxy will form a carbamoyl-enzyme intermediate that is sluggish to hydrolysis. The synthesis of racemic mono- and bi-cyclic aza-β -lactams is carried out starting from pyrimidinone 18 which is transformed to the densely functionalised substrate 20. The chemical reactivity of tricarbonyl 20 for selective functional group manipulation was first assessed and then it was transformed to amino alcohol 24. Cyclisation of 24 affords aza-carbapenams and its homologation followed by aldol cyclisation provides access to aza-carbacephams. The X-ray structures of aza-carbapenam 35 and aza-carbacepham 42 suggest that the structural requirements for biological activity in β -lactams are fulfilled. An unexpected ozonolysis product, phenol 52 resolves spontaneously during crystallisation and its crystal structure was also determined. The biological activity of the novel mono- and bi-cyclic aza-β -lactams was evaluated with potent gram-positive bacterial strain, Bacillus subtilis and compared with β -lactam antibiotics, ampicillin and penicillin G. Of the 19 aza-β -lactams tested, eight compounds show inhibition better than the standards while another eight are of comparable activity. This study shows that aza-β -lactams represent a novel and non-natural lead towards serine peptidase inhibitors

    Seeking structural repetitivity in systems with interaction interference: crystal engineering in the gem-alkynol family

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    Synthon repetitivity has been demonstrated in a pair of gem-alkynols, despite the high degree of interaction interference typical of this family of compounds

    When is a polymorph not a polymorph? Helical trimeric O-H···O synthons in trans-1,4-diethynylcyclohexane-1,4-diol

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    Two polymorphs (A and B) of trans-1,4-diethynylcyclohexane-1,4-diol represent a unique example of the simultaneous occurrence of both conformational polymorphism and conformational isomorphism, while a pseudopolymorphic monohydrate is closely related

    Global, regional, and national age-sex-specific mortality for 282 causes of death in 195 countries and territories, 1980-2017: a systematic analysis for the Global Burden of Disease Study 2017.

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    BACKGROUND: Global development goals increasingly rely on country-specific estimates for benchmarking a nation's progress. To meet this need, the Global Burden of Diseases, Injuries, and Risk Factors Study (GBD) 2016 estimated global, regional, national, and, for selected locations, subnational cause-specific mortality beginning in the year 1980. Here we report an update to that study, making use of newly available data and improved methods. GBD 2017 provides a comprehensive assessment of cause-specific mortality for 282 causes in 195 countries and territories from 1980 to 2017. METHODS: The causes of death database is composed of vital registration (VR), verbal autopsy (VA), registry, survey, police, and surveillance data. GBD 2017 added ten VA studies, 127 country-years of VR data, 502 cancer-registry country-years, and an additional surveillance country-year. Expansions of the GBD cause of death hierarchy resulted in 18 additional causes estimated for GBD 2017. Newly available data led to subnational estimates for five additional countries-Ethiopia, Iran, New Zealand, Norway, and Russia. Deaths assigned International Classification of Diseases (ICD) codes for non-specific, implausible, or intermediate causes of death were reassigned to underlying causes by redistribution algorithms that were incorporated into uncertainty estimation. We used statistical modelling tools developed for GBD, including the Cause of Death Ensemble model (CODEm), to generate cause fractions and cause-specific death rates for each location, year, age, and sex. Instead of using UN estimates as in previous versions, GBD 2017 independently estimated population size and fertility rate for all locations. Years of life lost (YLLs) were then calculated as the sum of each death multiplied by the standard life expectancy at each age. All rates reported here are age-standardised

    Isomorphous Crystals by Chloro–Methyl Exchange in Polymorphic Fuchsones

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    The X-ray crystal structures of four fuchsone derivatives in which a chloro group is replaced by methyl were analyzed to understand isostructurality upon Cl–Me exchange in a polymorphic family of molecules. The four methyl groups in tetramethyl fuchsone (TMF, 2,6-dimethyl and α,α-di-<i>p</i>-tolyl) were substituted with chlorine pairwise to give dichloro dimethyl (CMF, 2,6-dichloro and α,α-di-<i>p</i>-tolyl), dimethyl dichloro (MCF, 2,6-dimethyl and α,α-di-<i>p</i>-chlorophenyl), and tetrachloro derivatives (TCF, 2,6-dichloro and α,α-di-<i>p</i>-chlorophenyl). The first three compounds are polymorphic, whereas TCF afforded one crystal modification only. TMF, CMF, and MCF are isostructural and isomorphous crystals in the category of polymorphs, solid solutions, and solvates. The first case of color polymorphism in fuchsone dyes is reported for CMF dimorphs. The formation of solid solution is one of the most stringent tests of isostructutality, which was observed for TMF, CMF, and MCF but not for TCF. Crystal packing in TCF is dominated by short Cl···Cl interactions, and consequently this crystal structure is different from the first three members which are largely a result of space filling. Crystal structures were analyzed using the XPac program to calculate the dissimilarity index of supramolecular constructs and Hirshfeld fingerprint plots to quantify the contribution of Cl···Cl interactions. Isostructurality was observed up to 50% exchange of Cl with Me, but after that point the structure deviates to another packing motif

    Isomorphous Crystals by Chloro–Methyl Exchange in Polymorphic Fuchsones

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    The X-ray crystal structures of four fuchsone derivatives in which a chloro group is replaced by methyl were analyzed to understand isostructurality upon Cl–Me exchange in a polymorphic family of molecules. The four methyl groups in tetramethyl fuchsone (TMF, 2,6-dimethyl and α,α-di-<i>p</i>-tolyl) were substituted with chlorine pairwise to give dichloro dimethyl (CMF, 2,6-dichloro and α,α-di-<i>p</i>-tolyl), dimethyl dichloro (MCF, 2,6-dimethyl and α,α-di-<i>p</i>-chlorophenyl), and tetrachloro derivatives (TCF, 2,6-dichloro and α,α-di-<i>p</i>-chlorophenyl). The first three compounds are polymorphic, whereas TCF afforded one crystal modification only. TMF, CMF, and MCF are isostructural and isomorphous crystals in the category of polymorphs, solid solutions, and solvates. The first case of color polymorphism in fuchsone dyes is reported for CMF dimorphs. The formation of solid solution is one of the most stringent tests of isostructutality, which was observed for TMF, CMF, and MCF but not for TCF. Crystal packing in TCF is dominated by short Cl···Cl interactions, and consequently this crystal structure is different from the first three members which are largely a result of space filling. Crystal structures were analyzed using the XPac program to calculate the dissimilarity index of supramolecular constructs and Hirshfeld fingerprint plots to quantify the contribution of Cl···Cl interactions. Isostructurality was observed up to 50% exchange of Cl with Me, but after that point the structure deviates to another packing motif

    Isomorphous Crystals by Chloro–Methyl Exchange in Polymorphic Fuchsones

    No full text
    The X-ray crystal structures of four fuchsone derivatives in which a chloro group is replaced by methyl were analyzed to understand isostructurality upon Cl–Me exchange in a polymorphic family of molecules. The four methyl groups in tetramethyl fuchsone (TMF, 2,6-dimethyl and α,α-di-<i>p</i>-tolyl) were substituted with chlorine pairwise to give dichloro dimethyl (CMF, 2,6-dichloro and α,α-di-<i>p</i>-tolyl), dimethyl dichloro (MCF, 2,6-dimethyl and α,α-di-<i>p</i>-chlorophenyl), and tetrachloro derivatives (TCF, 2,6-dichloro and α,α-di-<i>p</i>-chlorophenyl). The first three compounds are polymorphic, whereas TCF afforded one crystal modification only. TMF, CMF, and MCF are isostructural and isomorphous crystals in the category of polymorphs, solid solutions, and solvates. The first case of color polymorphism in fuchsone dyes is reported for CMF dimorphs. The formation of solid solution is one of the most stringent tests of isostructutality, which was observed for TMF, CMF, and MCF but not for TCF. Crystal packing in TCF is dominated by short Cl···Cl interactions, and consequently this crystal structure is different from the first three members which are largely a result of space filling. Crystal structures were analyzed using the XPac program to calculate the dissimilarity index of supramolecular constructs and Hirshfeld fingerprint plots to quantify the contribution of Cl···Cl interactions. Isostructurality was observed up to 50% exchange of Cl with Me, but after that point the structure deviates to another packing motif

    Isomorphous Crystals by Chloro–Methyl Exchange in Polymorphic Fuchsones

    No full text
    The X-ray crystal structures of four fuchsone derivatives in which a chloro group is replaced by methyl were analyzed to understand isostructurality upon Cl–Me exchange in a polymorphic family of molecules. The four methyl groups in tetramethyl fuchsone (TMF, 2,6-dimethyl and α,α-di-<i>p</i>-tolyl) were substituted with chlorine pairwise to give dichloro dimethyl (CMF, 2,6-dichloro and α,α-di-<i>p</i>-tolyl), dimethyl dichloro (MCF, 2,6-dimethyl and α,α-di-<i>p</i>-chlorophenyl), and tetrachloro derivatives (TCF, 2,6-dichloro and α,α-di-<i>p</i>-chlorophenyl). The first three compounds are polymorphic, whereas TCF afforded one crystal modification only. TMF, CMF, and MCF are isostructural and isomorphous crystals in the category of polymorphs, solid solutions, and solvates. The first case of color polymorphism in fuchsone dyes is reported for CMF dimorphs. The formation of solid solution is one of the most stringent tests of isostructutality, which was observed for TMF, CMF, and MCF but not for TCF. Crystal packing in TCF is dominated by short Cl···Cl interactions, and consequently this crystal structure is different from the first three members which are largely a result of space filling. Crystal structures were analyzed using the XPac program to calculate the dissimilarity index of supramolecular constructs and Hirshfeld fingerprint plots to quantify the contribution of Cl···Cl interactions. Isostructurality was observed up to 50% exchange of Cl with Me, but after that point the structure deviates to another packing motif
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