Micellization of alkylated 1.4-diazabicyclo[2.2.2]octane by nuclear magnetic resonance technique using pulsed gradient of static magnetic field

A phenomenon of micellization of 4-aza-1-tetradecyl-1-azoniabicyclo[2.2.2] octane bromide (AB-14) in aqueous solution has been studied by the methods of nuclear magnetic resonance using magnetic field pulse gradient and fluorimetry. The critical micelle concentration is determined; concentration dependences of percentage of free AB-14 molecules and those associated with micelles as well as radii of micelles and numbers of their aggregation are established. Effect of external and internal translational diffusion of molecules on lifetime of AB-14 molecules in micelles is investigated. © 2012 Elsevier B.V

Nontoxic antimicrobial micellar systems based on mono- and di-cationic Dabco-surfactants and furazolidone: Structure-solubilization properties relationships

Supplementary data to this article can be found online at https://doi.org/10.1016/j.molliq.2019.112062.Self-assembly and solubilization properties of amphiphilic mono- and bisquaternized derivatives of 1,4-diazabicyclo[2.2.2]octane (mono-CS-n and di-CS-n, where CS cationic surfactant, n=12, 14, 16, 18) was investigated by nuclear magnetic resonance with magnetic field pulse gradient. The influence of Dabco-surfactant structure (head group and length of alkyl chains) on critical micelle concentration and aggregation number of micelles was studied. The CMC of mono-CS-n are lower than CMC of di-CS-n. The aggregation numbers of mono-CS-n micelles are higher than for di-CS-n micelles. The solubilization capacity of mono-CS-n is higher than di-CS-n. The solubilization capacity of mono-CS-16 is 2.5 times higher than CTAB in the case of Orange OT as a solute, and it is close to CTAB in the case of Sudan I. The solubility of a poorly water-soluble antibacterial drug furazolidone was improved by micellar solubilization based on mono- and di-Dabco-surfactants. Mono-CS-n is the best solubilizing agents toward furazolidone. The use of mixed composition mono-Dabco-16-furazolidone provides a significant increase in antimicrobial activity (2 times against bacteria and 8 times against fungi) and reduces 2 times the dose of each of the components in combination formulation and causes <2% haemolysis of human red blood cells at the active dose.The report study was funded by Russian Foundation for Basic Research according to the research project № 18-43-160015. The authors gratefully acknowledge the CSF-SAC FRC KSC RAS.info:eu-repo/semantics/publishedVersio

Статистический анализ затрат на охрану окружающей среды в России

The topical relevance of this study lies in the current state of the environment in Russia. It is assessed as unfavorable, and this fact is recognized both by the scientific community and at the state level, which determines the need for an integrated study of costs aimed at protecting the environment and improving the ecological situation. One of the article’s objectives was to conduct an appropriate statistical analysis both for Russia as a whole and for selected regions. For that purpose, the volumes, structure, and dynamics of environmental protection expenditures and some factors affecting their value were comprehensively studied; the differentiation of the Russian regions by the level of expenditures was examined. The authors substantiated the areas of environmental protection based on econometric modeling.This study, in particular, revealed a fairly close relationship between economic growth and the generation of both production and consumption wastes. At the same time, it was established that the country’s gross domestic product (GDP) growth rate is significantly lower than the growth in waste generation, which is explained by several reasons, including budgetary ones. This situation, in turn, was reflected in the ratio of environmental protection costs to GDP. The observed situation of a very slow reduction, stabilization or even growth of the negative impact of economic entities on the environment in a number of regions of the country and for specific indicators, as well as an increase in the generation of household waste (i.e. among the population), requires an adequate increase in the costs of enterprises and budgets of all levels aimed at environmental protection and rationalization of environmental management. This in principle leads to an increase in production costs and calls for a redistribution of budget expenditures from the production and social sphere to the environmental sector. The use of econometric modeling to highlight the factors that influence the level of costs by region has shown that their value depends primarily on the population density and the actual state of the environment.Актуальность исследования обусловлена особой остротой проблемы состояния и охраны окружающей среды (ООС) в России. ООС оценивается в настоящее время как неблагоприятное, причем данный факт признается как научным сообществом, так и на государственном уровне. Все это определяет необходимость комплексного исследования затрат, направленных на охрану окружающей среды и имеющих целью улучшение экологической ситуации. Одной из основных задач настоящей статьи являлось проведение соответствующего статистического анализа как в целом по России, так и по отдельным регионам. При этом были всесторонне проанализированы показатели объемов, структуры и динамики природоохранных расходов, изучена дифференциация субъектов Российской Федерации по уровню затрат и факторы, оказывающие влияние на их величину. С применением эконометрического моделирования были выявлены характеристики воздействующих на окружающую среду факторов, позволившие обосновать некоторые направления совершенствования природоохранной деятельности.В результате исследования, в частности, была определена достаточно тесная взаимосвязь между ростом экономики, с одной стороны, и образованием отходов производства и потребления с другой. Одновременно было установлено, что темпы роста валового внутреннего продукта (ВВП) существенно ниже прироста образования отходов, что объясняется целым рядом причин, в том числе бюджетного характера. Данная ситуация, в свою очередь, отразилась на показателе, измеряющем соотношение затрат на охрану окружающей среды с ВВП. Наблюдаемая ситуация с весьма медленным снижением, стабилизацией или даже ростом негативного воздействия на окружающую среду со стороны хозяйствующих субъектов в целом ряде регионов страны и по конкретным показателям, также как увеличение образования бытовых отходов в домохозяйствах (то есть фактически у населения) требует адекватного повышения затрат предприятий и бюджетов всех уровней управления на охрану окружающей среды и рационализацию природопользования. Это в принципе ведет к росту издержек на производство продукции и вызывает необходимость перераспределения расходов бюджета из производственно-социальной сферы в природоохранную область. Использование эконометрического моделирования для выделения факторов, оказывающих влияние на уровень затрат по регионам, показал, в какой мере их величина зависит, прежде всего, от плотности проживания населения и фактических характеристик состояния окружающей среды

Micellization of alkylated 1.4-diazabicyclo[2.2.2]octane by nuclear magnetic resonance technique using pulsed gradient of static magnetic field

A phenomenon of micellization of 4-aza-1-tetradecyl-1-azoniabicyclo[2.2.2] octane bromide (AB-14) in aqueous solution has been studied by the methods of nuclear magnetic resonance using magnetic field pulse gradient and fluorimetry. The critical micelle concentration is determined; concentration dependences of percentage of free AB-14 molecules and those associated with micelles as well as radii of micelles and numbers of their aggregation are established. Effect of external and internal translational diffusion of molecules on lifetime of AB-14 molecules in micelles is investigated. © 2012 Elsevier B.V

Micellization of alkylated 1.4-diazabicyclo[2.2.2]octane by nuclear magnetic resonance technique using pulsed gradient of static magnetic field

A phenomenon of micellization of 4-aza-1-tetradecyl-1-azoniabicyclo[2.2.2] octane bromide (AB-14) in aqueous solution has been studied by the methods of nuclear magnetic resonance using magnetic field pulse gradient and fluorimetry. The critical micelle concentration is determined; concentration dependences of percentage of free AB-14 molecules and those associated with micelles as well as radii of micelles and numbers of their aggregation are established. Effect of external and internal translational diffusion of molecules on lifetime of AB-14 molecules in micelles is investigated. © 2012 Elsevier B.V

Micellization of alkylated 1.4-diazabicyclo[2.2.2]octane by nuclear magnetic resonance technique using pulsed gradient of static magnetic field

A phenomenon of micellization of 4-aza-1-tetradecyl-1-azoniabicyclo[2.2.2] octane bromide (AB-14) in aqueous solution has been studied by the methods of nuclear magnetic resonance using magnetic field pulse gradient and fluorimetry. The critical micelle concentration is determined; concentration dependences of percentage of free AB-14 molecules and those associated with micelles as well as radii of micelles and numbers of their aggregation are established. Effect of external and internal translational diffusion of molecules on lifetime of AB-14 molecules in micelles is investigated. © 2012 Elsevier B.V

Synthesis of D-π-A′-π-A Chromophores with Quinoxaline Core as Auxiliary Acceptor and Effect of Various Silicon-Substituted Donor Moieties on Thermal and Nonlinear Optical Properties at Molecular and Material Level

Novel D-π-A′-π-A chromophores with quinoxaline cores as auxiliary acceptors and various donor moieties (aniline, carbazole, phenothiazine, tetrahydroquinoline) containing bulky tert-butyldimethylsilyloxy (TBDMSO) groups and tricyanofuranyl (TCF) acceptors with bulky cyclohexylphenyl substituents were synthesized via eight- to nine-step procedures, and their photo-physical and thermal properties were investigated. The values of the chromophores’ first hyperpolarizabilities were calculated in the framework of DFT at the M06-2X/aug-cc-pVDZ computational level; the effect of the introduction of the TBDMSO group into the donor fragment is shown to be inessential, as this group is not coupled to the π-conjugated system of the chromophore. The chromophore with the tetrahydroquinoline donor has a first hyperpolarizability value of 937 × 10−30 esu, which is the highest for the studied chromophores. Atomistic modeling of composite materials with the studied chromophores as guests demonstrated that the presence of bulky substituent in the donor fragment prevents notable aggregation of chromophores, even at high chromophore content (40 wt.%). The nonlinear optical performance of guest–host materials with 25 and 40 wt.% of suggested chromophore content was studied using a second harmonic generation technique to give the NLO coefficient, d33 up to 52 pm/V