Сравнение иодидов и полииодидов комплексов редкоземельных элементов с биуретом

Objectives. Currently, several hundred polyiodide compounds have been synthesized and structurally characterized, but so far, no formation patterns for certain polyiodide ions have been revealed. The purpose of this work is to continue the search for formation regularities of polyiodides, including polyiodides of lanthanide complexes.Methods. Iodide and polyiodide of samarium complexes with biuret (BU), [Sm(BU)4]I3·BU·2H2O and [Sm(BU)4][I5][I]2, were first synthesized and characterized by X-ray diffraction analysis and infrared spectroscopy, respectively.Results. The obtained compounds complement the row of isostructural lanthanide (La–Gd) complexes. Structures of corresponding iodides and polyiodides were compared in detail. Both types of the compounds contain complex cations of the same composition; however, their structures differ significantly. The central atom coordination polyhedron can be described as a distorted square antiprism and a distorted dodecahedron, respectively. Even greater differences are observed in the outer sphere of complex compounds. The iodide compound crystals contain uncoordinated iodide ions, a biuret molecule and two water molecules. In the polyiodide compound, cations together with isolated I– ions form a three-dimensional framework with the channels, in which linear I5– ions are united in infinite linear chains by weak interactions.Conclusions. The replacement of an iodide ion with a polyiodide ion in complex compounds of lanthanides with BU leads to changes in both the inner sphere and the outer sphere of the cation complex, including the supramolecular level. The presence of iodine atom infinite linear chains in polyiodides allows expecting the presence of anisotropic electrical conductivity along this direction.Цели. В настоящее время синтезировано и структурно охарактеризовано несколько сотен полииодидных соединений, однако до сих пор не выявлено закономерностей образования тех или иных полииодид-ионов. Целью настоящей работы является продолжение поиска закономерностей образования полииодидов, в том числе полииодидов комплексов лантанидов.Методы. Впервые синтезированы и охарактеризованы методами рентгеноструктурного анализа и инфракрасной спектроскопии, соответственно, иодид и полииодид комплексов самария с биуретом (BU) состава [Sm(BU)4]I3·BU·2H2O и [Sm(BU)4][I5][I]2.Результаты. Полученные соединения пополняют ряд изоструктурных комплексов лантанидов от La до Gd. Проведено детальное сравнение структур иодидных и полииодидных соединений. Установлено, что оба типа соединений содержат комплексный катион одного состава, однако его строение существенно различается в иодидных и полииодидных соединениях. Координационный полиэдр центрального атома можно описать как искаженную квадратную антипризму и искаженный додекаэдр, соответственно. Еще большие различия наблюдаются во внешней сфере комплексных соединений. Кристаллы иодидного соединения содержат некоординированные иодид-ионы, молекулу BU и две молекулы воды. В полииодидном соединении катионы вместе с одиночными ионами образуют трехмерный каркас, в каналах которого находятся линейные ионы, объединенные слабыми взаимодействиями в бесконечные линейные цепи.Выводы. Замена иодид-иона на полииодид-ион в комплексных соединениях редкоземельных элементов с BU приводит к изменению как внутренней сферы катионного комплекса, так и внешней сферы, включая супрамолекулярный уровень. Присутствие бесконечных линейных цепей из атомов иода в структуре полииодидов комплексов лантанидов с BU позволяет ожидать наличие анизотропной электропроводности вдоль этого направления

Estimated clinical outcomes and cost-effectiveness associated with provision of addiction treatment in US primary care clinics

IMPORTANCE: US primary care practitioners (PCPs) are the largest clinical workforce, but few provide addiction care. Primary care is a practical place to expand addiction services, including buprenorphine and harm reduction kits, yet the clinical outcomes and health care sector costs are unknown. OBJECTIVE: To estimate the long-term clinical outcomes, costs, and cost-effectiveness of integrated buprenorphine and harm reduction kits in primary care for people who inject opioids. DESIGN, SETTING, AND PARTICIPANTS: In this modeling study, the Reducing Infections Related to Drug Use Cost-Effectiveness (REDUCE) microsimulation model, which tracks serious injection-related infections, overdose, hospitalization, and death, was used to examine the following treatment strategies: (1) PCP services with external referral to addiction care (status quo), (2) PCP services plus onsite buprenorphine prescribing with referral to offsite harm reduction kits (BUP), and (3) PCP services plus onsite buprenorphine prescribing and harm reduction kits (BUP plus HR). Model inputs were derived from clinical trials and observational cohorts, and costs were discounted annually at 3%. The cost-effectiveness was evaluated over a lifetime from the modified health care sector perspective, and sensitivity analyses were performed to address uncertainty. Model simulation began January 1, 2021, and ran for the entire lifetime of the cohort. MAIN OUTCOMES AND MEASURES: Life-years (LYs), hospitalizations, mortality from sequelae (overdose, severe skin and soft tissue infections, and endocarditis), costs, and incremental cost-effectiveness ratios (ICERs). RESULTS: The simulated cohort included 2.25 million people and reflected the age and gender of US persons who inject opioids. Status quo resulted in 6.56 discounted LYs at a discounted cost of $203 500 per person (95$203 000-$222 000). Each strategy extended discounted life expectancy: BUP by 0.16 years and BUP plus HR by 0.17 years. Compared with status quo, BUP plus HR reduced sequelae-related mortality by 33$34 400 per LY). During a 5-year time horizon, BUP plus HR cost an individual PCP practice approximately $13 000. CONCLUSIONS AND RELEVANCE: This modeling study of integrated addiction service in primary care found improved clinical outcomes and modestly increased costs. The integration of addiction service into primary care practices should be a health care system priority

Simulated cost-effectiveness and long-term clinical outcomes of addiction care and antibiotic therapy strategies for patients with injection drug use-associated infective endocarditis

Importance: Emerging evidence supports the use of outpatient parenteral antimicrobial therapy (OPAT) and, in many cases, partial oral antibiotic therapy for the treatment of injection drug use-associated infective endocarditis (IDU-IE); however, long-term outcomes and cost-effectiveness remain unknown. Objective: To compare the added value of inpatient addiction care services and the cost-effectiveness and clinical outcomes of alternative antibiotic treatment strategies for patients with IDU-IE. Design, Setting, and Participants: This decision analytical modeling study used a validated microsimulation model to compare antibiotic treatment strategies for patients with IDU-IE. Model inputs were derived from clinical trials and observational cohort studies. The model included all patients with injection opioid drug use (N = 5 million) in the US who were eligible to receive OPAT either in the home or at a postacute care facility. Costs were annually discounted at 3%. Cost-effectiveness was evaluated from a health care sector perspective over a lifetime starting in 2020. Probabilistic sensitivity, scenario, and threshold analyses were performed to address uncertainty. Interventions: The model simulated 4 treatment strategies: (1) 4 to 6 weeks of inpatient intravenous (IV) antibiotic therapy along with opioid detoxification (usual care strategy), (2) 4 to 6 weeks of inpatient IV antibiotic therapy along with inpatient addiction care services that offered medication for opioid use disorder (usual care/addiction care strategy), (3) 3 weeks of inpatient IV antibiotic therapy along with addiction care services followed by OPAT (OPAT strategy), and (4) 3 weeks of inpatient IV antibiotic therapy along with addiction care services followed by partial oral antibiotic therapy (partial oral antibiotic strategy). Main Outcomes and Measures: Mean percentage of patients completing treatment for IDU-IE, deaths associated with IDU-IE, life expectancy (measured in life-years [LYs]), mean cost per person, and incremental cost-effectiveness ratios (ICERs). Results: All modeled scenarios were initialized with 5 million individuals (mean age, 42 years; range, 18-64 years; 70% male) who had a history of injection opioid drug use. The usual care strategy resulted in 18.63 LYs at a cost of $416 570 per person, with 77.6$412 150 per person. Compared with the OPAT strategy, the partial oral antibiotic strategy had an ICER of $163 370 per LY. Increasing IDU-IE treatment uptake and decreasing treatment discontinuation made the partial oral antibiotic strategy more cost-effective compared with the OPAT strategy. When assuming that all patients with IDU-IE were eligible to receive partial oral antibiotic therapy, the strategy was cost-saving and resulted in 0.0247 additional discounted LYs. When treatment discontinuation was decreased from 3.30$100 000 per LY threshold. Conclusions and Relevance: In this decision analytical modeling study, incorporation of OPAT or partial oral antibiotic approaches along with addiction care services for the treatment of patients with IDU-IE was associated with increases in the number of people completing treatment, decreases in mortality, and savings in cost compared with the usual care strategy of providing inpatient IV antibiotic therapy alone

Использование комплексных соединений Сu(II) для очистки промышленно значимых 2-(ацил)индандионов-1,3

Cu(II)-complexes with 2(diphenylacetyl)indandione-1,3 and relative (2-phenylethylphenyl)indandione-1,3 (isomers mixture) are synthesized and studied by various methods. These compounds may be employed for the purification of industrial samples.Синтезированы и исследованы методами ИК спектроскопии и элементного анализа комплексные соединения Cu(II) c 2-(дифенилацетил)индандионом-1,3 и родственным соединением 2-(фенил-этилфенил)индандионом-1,3, представ- ляющим собой смесь изомеров. Комплексные с

Спектроскопическое изучение полиморфных модификаций 2-(дифенилацетил)индандиона-1,3

Two polymorphic modification of nondirect anti-coagulant 2(diphenylacetyl)indandion-1,3 were studed by IR-spectroscopy. The differencies are proposed of molecular packingМетодом ИК- спектроскопии исследованы две полиморфные модификации антикоагулянта крови непрямого действия 2-(дифенилацетил)индандиона-1,3. Разница между модификациями скорее всего обусловлена различиями в упаковке молекул.

Синтез мезо-тетразамещённых порфиринов, содержащих фосфорильные и азофенильные группы

New meso-tetrasubstituted porphyrins of interest as heterotopic ligands were synthesized. Substances are investigated by methods of electronic and IR-spectroscopy, МALDI-TOF mass-spectrometry, 1 H NMR spectroscopy and elemental analysisСинтезированы новые мезо-тетразамещённые порфирины, представляющие интерес в качестве гетеротопных лигандов. Соединения исследованы методами ИК- и электронной спектроскопии поглощения, МALDI-TOF-масс-спектрометрии

ИССЛЕДОВАНИЕ ТЕРМИЧЕСКОГО РАЗЛОЖЕНИЯ КОМПЛЕКСНЫХ СОЕДИНЕНИЙ ХЛОРИДОВ НИКЕЛЯ И КОБАЛЬТА С УРОТРОПИНОМ

Complex compounds NiCl2·2HMTA·10H2O (1), CoCl2·2HMTA·10H2O (2), CoCl2·HMTA·4.5H2O (3) were prepared by the reaction of nickel(II) and cobalt(II) chlorides with urotropine (HMTA). Compounds 1 and 2 are isostructural, their structure corresponds to the earlier studied crystal structure [Ni(H2O)6]Cl2·4H2O·2HMTA. Thermal destruction of the complex compounds 1-3 was studied by TGA and high-temperature IR-spectroscopy. The TGA curve for compound 1 shows stepwise mass loss caused by two-stage loss of all water molecules (up to 170°C) and one urotropine molecule (up to 270°C) followed by decomposition of NiCl2·HMTA. The X-ray diffraction pattern of the resulting solid shows no reflections typical for the metal and its simplest nitrogen-, carbon- and chlorine-containing compounds. Thermal decomposition of сompounds 2 and 3 proceed similarly, but water is removed in one stage. IR spectra, which were recorded at high temperature (up to 220-230°C) show gradual decrease of intensity of the bands assigned to vibrations of water molecules. The bands of the methylene groups of urotropine do not change on heating. However, the bands of the C-N vibrations shift from ~1050 and ~1008 cm-1 in the spectra of urotropine and [M(H2O)6](HMTA)2Cl2·4H2O to 1015-1019 and 984-995 cm-1, respectively, indicating coordination of urotropine molecules instead of the removed water molecules. The long-wave IR spectra for NiCl2·6H2O and compound 1 at ambient temperature show bands of Ni-O stretching vibrations and O-Ni-O bending vibrations. After heating 1 at 115° C, bands of Ni-N and Ni-Cl appear, which indicates the coordination of urotropine molecules and chloride ions after the removal of outer-sphere and inner-sphere water molecules.Взаимодействием хлоридов никеля(II) и кобальта(II) с уротропином (HMTA) получены комплексные соединения состава NiCl2·2HMTA·10H2O (1), CoCl2·2HMTA·10H2O (2), CoCl2·HMTA·4.5H2O (3). Показано, что соединения 1 и 2 изоструктурны и отвечают ранее описанному [Ni(H2O)6]Cl2·4H2O·2HMTA. На кривой ТГА соединения 1 наблюдается ступенчатое уменьшение массы, связанное с двухстадийной потерей всех молекул воды (до 170°С) и одной молекулы уротропина (до 270°С), далее происходит разложение фрагмента NiCl2·HMTA. На дифрактограмме твердого остатка, полученного после нагревания образца до 800°С, не удалось обнаружить отражений, характерных для металла и его простейших азот-, углерод- и хлорсодержащих соединений. Термическое разложение соединений 2 и 3 протекает аналогично, но вода удаляется в одну стадию. В ИК-спектрах, измеренных при повышенных температурах, вплоть до 220-230°С, имеет место постепенное уменьшение интенсивности полос, отвечающих колебаниям молекул воды. Полосы, отнесенные к колебаниям метиленовых групп уротропина, остаются в указанном интервале температур практически без изменений. В то же время уже при нагревании выше 130°С отмечается сдвиг полос, обусловленных валентными колебаниями связей C-N, от ~1050 и ~1008 см-1 в спектрах свободного уротропина и [M(H2O)6](HMTA)2Cl2·4H2O к 1015-1019 и 984-995 см-1, соответственно, что свидетельствует о координации атомами никеля и кобальта молекул уротропина вместо удаленных молекул воды. В длинноволновых ИК-спектрах для NiCl2·6H2O и соединения 1 при комнатной температуре наблюдаются полосы валентных колебаний Ni-O и деформационных колебаний O-Ni-O. После нагревания 1 при 115°С в спектре появляются полосы колебаний Ni-N и Ni-Cl, что свидетельствует о координации атомом никеля молекул уротропина и хлорид-ионов после удаления внешнесферных и внутрисферных молекул воды

Композиты из субмикронных сфер Y2O3 с функциональной основой наноразмерных модификаций диоксида титана: получение и характеризация

Composites anatase/Y2O3, η-TiO2/Y2O3, Degussa P25/Y2O3 and Hombifine/Y2O3 were prepared by simultaneous dispersion of Y2O3 and TiO2 powders in weakly alkaline aqueous media or dispersion of Y2O3 powders in acidic titania-containing hydrosols followed by special treatment. Initial reagents and composites were characterized by X-ray diffraction, IR spectroscopy, transmission and scanning electronic microscopy with X-ray spectral microanalysis.Впервые получены композиты анатаз/Y2O3, η-TiO2/Y2O3, Degussa P25/Y2O3 нанесением наноразмерных модификаций диоксида титана со структурами анатаза и η-модификации и Degussa P25 на субмикронные сферы Y2O3 путём совместного диспергирования порошков Y2O3 и TiO2 в слабощелочной водной среде либо диспергирования порошка Y2O3 вкислотном титансодержащем гидрозоле с последующей обработкой. Исходные вещества и композиты охарактеризованы методами рентгенографии, ИК-спектроскопии, просвечивающей и сканирующей электронной микроскопии с рентгеноспектральным микроанализом, низкотемпературной (-196°C) адсорбции азота

Interview in Sport Psychology: Method of Study and Preparing an Intervention

Current article includes an analysis of interviewing in sport psychology, an observing of modern scientific interview protocols, a description of interview cases in private practice and research; also there is a discussion about efficiency and limitations of interview method in the article. Approaches to interviewing as the main and auxiliary method are discussed in details. The objective of the article is to show how an interview can reveal interesting biographical facts, personality traits, the installation of an athlete, to reflect his inner world, and to form working in the field of sport psychology professionals and students view on the advantages and opportunities an interview in the work of sports psychologist (research and practice). This method can be regarded as a tool of knowledge, but is also used as a preliminary interview before long-term or short-term therapeutic work. Clinical conversation as one of the options the interview are invited to the discussion; the article provides a common protocol for clinical interviews in the sport