Поведение морфолина и его триметилсилилпроизводного в реакциях с триметилсилилизоцианатом

Objectives. To study the patterns of behavior of morpholine and its trimethylsilyl derivative in reactions with trimethylsilyl isocyanate.Methods. The study employed infrared and nuclear magnetic resonance spectroscopy, as well as elemental analysis.Results. The formation of mixtures of tautomeric forms of silicon-containing urea—N-(trimethylsilyl) morpholine-4-carboxamide and trimethylsilylmorpholine-4-carboximidoate—was established.Conclusions. It is shown that the composition and structure of the resulting products are determined both by the presence of a morpholine substituent at the nitrogen atom and by the type of isocyanate used. Unlike the trimethylsilyl derivative of morpholine, morpholine itself reacts with trimethylsilyl isocyanate to form a mixture of tautomeric forms.Цели. Изучить закономерности поведения морфолина и его триметилсилилпроизводного в реакциях с триметилсилилизоцианатом.Методы. В исследовании использовались методы инфракрасной спектроскопии, спектроскопии ядерного магнитного резонанса и элементного анализа.Результаты. Установлено образование смеси таутомерных форм кремнийсодержащей мочевины: N-(триметилсилил)морфолин-4-карбоксамида и триметилсилилморфолин -4-карбоксимидоата.Выводы. Установлено, что состав и строение образующихся продуктов определяется как наличием заместителя при атоме азота морфолина, так и типом используемого изоцианата. Показано, что, в отличие от триметилсилильного производного морфолина, сам морфолин взаимодействует с триметилсилилизоцианатом с образованием смеси таутомерных форм

Language complexity in on-line health information retrieval

The number of people searching for on-line health information has been steadily growing over the years so it is crucial to understand their specific requirements in order to help them finding easily and quickly the specific in-formation they are looking for. Although generic search engines are typically used by health information seekers as the starting point for searching information, they have been shown to be limited and unsatisfactory because they make generic searches, often overloading the user with the provided amount of results. Moreover, they are not able to provide specific information to different types of users. At the same time, specific search engines mostly work on medical literature and provide extracts from medical journals that are mainly useful for medical researchers and experts but not for non-experts. A question then arises: Is it possible to facilitate the search of on-line health/medical information based on specific user requirements? In this pa-per, after analysing the main characteristics and requirements of on-line health seeking, we provide a first answer to this question by exploiting the Web structured data for the health domain and presenting a system that allows different types of users, i.e., non-medical experts and medical experts, to retrieve Web pages with language complexity levels suitable to their expertise. Furthermore, we apply our methodology to the results of a generic search engine, such as Google, in order to re-rank them and provide different users with the proper health/medical Web pages in terms of language complexity

Genetic risk factors for Parkinson’s disease in Ukraine

The paper focuses on the genetic risk factors for Parkinson’s disease (PD) such as polymorphisms in genes CYP1A1, GSTM1 and APOE. A total number of 516 people were examined. 300 persons were in the control group (mean age 67,0 ± 0,4 years; 200 males and 100 females) and 216 persons were patients with PD (mean age 65,0 ± 0,7 years, 116 males and 100 females). Whole blood samples collected from each person were genotyped using PCR-RFLP. Amplification and restriction results were assessed by conducting vertical agarose gel electrophoresis. The study analyzed marker с.2452C>A in the CYP1A1 gene. In the control group, allele C frequency was 0.79, and allele A frequency – 0.21. Genotype frequencies were: CC – 0.61, AC – 0.36, AA – 0.03. In the group of patients alleles C and A frequencies were 0.64 and 0.36 correspondingly. Genotype frequencies were: CC – 0.35, AC – 0.58, AA – 0.07. There was a significant difference between both groups in allele A frequency. It is considered that 0/0 genotype for the GSTM1 gene is a risk factor for PD. In the controls, +/+ and 0/0 genotypes frequencies were 0.67 and 0.33 correspondingly. In the group of patients +/+ genotype frequency was 0.55 and 0/0 genotype frequency – 0.45. The difference was statistically significant. In the control group genotype frequencies for the АРОЕ gene were 0.715 (Е3/Е3), 0.077 (Е3/Е4), 0.009 (Е4/Е4), 0.167 (Е2/Е3), 0.031 (Е2/Е4) and 0.000 (Е2/Е2). In the group of patients with PD they were 0.634 (Е3/Е3), 0.148 (Е3/Е4), 0.032 (Е4/Е4), 0.157 (Е2/Е3), 0.023 (Е2/Е4) and 0.000 (Е2/Е2). Е3/Е4 genotype frequency was significantly higher in the group of patients with PD than in the control group. Pathogenic allele с.2452C>A of the CYP1A1 gene is associated with increased risk of PD (OR = 1.72). 0/0 genotype carriers have higher risk to develop PD (OR = 1.72). Allele έ4 of the АРОЕ gene may be associated with increased risk of PD. Risk of the disease is higher in έ2 allele carriers (OR = 2.35) and έ4 allele carriers (OR=1.97). People with genotype Е4/Е4 have chances to be affected by PD 3.48 times higher (OR = 3.48). Associations revealed in the different human populations between genetic factors and PD may vary that is associated with the genetic heterogeneity and proportion of environmental factors which affect people. Despite the results are sometimes controversial, they can be helpful in developing DNA-tests for early diagnosis of PD

Современный взгляд на проблему диагностики опухоли Клатскина (обзор литературы)

The majority (50–70%) of biliary tract cancer accounts for the hilar cholangiocarcinoma (Klatskin tumor). Despite the relative availability and advances in imaging techniques, Klatskin tumor is one of the most difficult tumors to diagnose. In most cases, it is detected in later, advanced stages, and therefore prognosis is poor. The review describes epidemiology, existing classifications of hilar cholangiocarcinoma (outlining advantages and disadvantages for each one), risk factors and clinical course of the disease. Diagnostic features of the tumor for principal methods of visualization (ultrasound, contrast-enhanced CT, MRI with MRCP) are described along with respectability criteria. The algorithm of complex diagnostics of Klatskin tumour is augmented.На воротную холангиокарциному (опухоль Клатскина) приходится подавляющее большинство (60–70%) случаев рака желчных путей. Несмотря на широкую распространенность и достижения в области методов визуализации, опухоль Клатскина является одной из наиболее трудных для диагностики опухолей, выявляется на поздних стадиях и потому сочетается с неблагоприятным прогнозом. В статье приводятся эпидемиология, существующие классификации опухоли Клатскина с указанием достоинств и ограничений каждой, факторы риска и клиническая картина заболевания. Определены диагностические признаки для основных современных методов лучевой диагностики с учетом последних исследований в данной области. Приводятся критерии резектабельности опухоли. Дополнен алгоритм комплексной диагностики опухоли Клатскина

Эксплуатационные свойства катализаторов неэкстракционной окислительной демеркаптанизации нефти и нефтяных фракций

The results of identification of the main operational properties of metallocomplex catalysts solutions for non-extractive oxidative sweetening of natural hydrocarbons and their products are provided in this article. These catalysts allow carrying out the catalytic oxidation of hydrogen sulfide and mercaptans in hydrocarbon media directly. This method allows to exclude from the technological cycle the need to use large volumes of extracting agents (aqueous alkaline solutions), which greatly simplifies the purification technology and eliminates the stage of recycling sulfuralkaline waste. These catalysts are oxidizing systems, which can have a negative impact on their storage and use. Therefore, it was necessary to determine the influence of the synthesis conditions and the composition of the catalyst solution on viscosity, pour point, surface tension and corrosion properties. The impact of storage duration and its conditions on the catalysts activity in the oxidation of H2S and light mercaptans in oil and oil products was studied. The results showed that the catalytic systems based on copper salts and amino alcohols correspond to the requirements for industrial applications.В статье приведены экспериментальные результаты по определению основных эксплуатационных характеристик растворов металлокомплексных катализаторов неэкстракционной окислительной демеркаптанизации природных углеводородов и продуктов их переработки. Определено влияние режима синтеза и состава раствора катализатора на вязкость, температуру потери текучести, поверхностное натяжение и коррозионные свойства. Изучено влияние длительности и режимов хранения на активность катализаторов в реакции окисления сероводорода и легких меркаптанов (метил-, этилмеркаптан) в нефти и нефтепродуктах

Crystal and Electronic Structures of Alluaudite-Type Double Molybdates of Scandium and Indium

Double molybdates of indium and scandium with alluaudite structure are prepared by the solid-phase synthesis method. The crystal structure of the indium containing compound is refined and optical characteristics of Na5R(Mo04)4(R = Sc, In) are determined. Electronic structures of Na5R(Mo04)4(R = Sc, In) molybdates are studied within the ab initio method taking account of Na/Sc(In) positional disordering. Calculations of the imaginary part of dielectric function predict the optical gap of ~3.8 eV, in accordance with absorption spectroscopy data. It is established that formation energy of sodium vacancies strongly depends on sodium position and Sc(In) concentration. As a result, various diffusion mechanisms may be activated in alluaudite-type compounds with high and low contents of metal R. © 2019, Pleiades Publishing, Ltd

Каталитическая очистка мазута от сероводорода и меркаптанов

Increasing environmental regulations according to the content of toxic volatile sulfur impurities in fuel oil requires improvement existing and development of new absorbers and ways of their application. The results of the study of oxidative demercaptanization of model mixtures containing hydrogen sulfide and hydrogen sulfide/ethyl mercaptan in the presence of metal complex catalysts are shown. It is established that the required degree of purification (conversion of hydrogen sulphide) is achieved at a ratio of kt/H2S=1.5, which is much lower than required when using scavenger. Experiments carried out at the refinery of "TAIF-NK" to remove hydrogen sulfide from fuel oil have shown the efficiency close to that obtained in experiments on model compounds. These catalysts are also effective in conversion of light mercaptans of fuel oil. Irreversible nature of transformation of hydrogen sulfide and thiols into nontoxical forms and no negative impact on the properties of the final product of this method is established.Показана возможность очистки мазута от токсичных легколетучих сернистых примесей в результате их каталитического окисления кислородом воздуха в присутствии металло-комплексов переходных металлов

MEDICAL AND SOCIAL CHARACTERISTICS OF WOMEN OF YOUNG REPRODUCTIVE AGE AFTER HYSTERECTOMY

Background. In many countries, hysterectomy is one of the most frequently performed surgical procedures.The objective of our analysis was to assess the social and medical characteristics of young reproductive-age patients who underwent hysterectomy.Materials and methods. A retrospective study involved 140 women aged 18–35 years (median age 29.4 ± 4.7 years) who underwent emergency or elective hysterectomy in the hospitals of Zabaykalsky Krai for a period of 5 years (January 1, 2013, to December 31, 2017).Results. 51.4 % of patients were housewives; 52.9 % were single; 55.7 % had bad habits (smoking, alcohol consumption). These women had a high incidence of socially significant infections: HIV – 3.6 %, active forms of tuberculosis – 1.5 %. 89.3 % of hysterectomies were emergent and 10.7 % were elective (p = 0.0001; OR = 69.4; 95% CI 32.6–148.1). The indications for the emergency hysterectomy were uterine myoma (80 %) and cervical or ovarian cancer (20 %). The obstetrical complications were the main indications for the emergency surgery: placenta abruption – 24.0 %; placenta previa – 20.8 % (placenta increta and/or percreta – 16.8 %; massive antenatal bleeding – 4.0 %); postpartum hemorrhage after vaginal delivery and caesarean section 19.2 %; septic and/or hemorrhagic shock in early miscarriages (from 8 to 19 weeks of gestation) 15.2 %. Mortality was registered in case of emergency hysterectomy only (4.3 %). Half of the deaths (50 %) occurred in cases of complicated miscarriages.Conclusion. To preserve the reproductive potential of young women of reproductive age, it is necessary to increase their social and cultural level, and responsibility for their own health and gender behavior

Солитарная фиброзная опухоль поджелудочной железы и неорганная со вторичным распространением на поджелудочную железу (клинические наблюдения и обзор литературы)

Solitary fibrous tumor (SFT) is an extremely rare tumor of the pancreas. The content of stromal tissue in the pancreas is insignificant, this fact explains the extremely rare occurrence of mesenchymal tumors (less than 1% of pancreatic neoplasms). It has been described only 16 such cases in the world literature.A clinical case of solitary fibrous tumor of the pancreatic head of a man 43 years old, illustrating the difficulty of diagnosis is presents in the article/ In order to emphasize difficulties in diagnostics we introduce you another clinical case of extrapleural solitary fibrous tumors of the retroperitoneal space of a woman 63 years old.Pancreatic SFT and NEN cannot be reliably differentiated on the basis of lesion structure and contrast medium uptake. However, in most cases SFT will progradiently enhance due to abundant collagen stroma, leading to marked difference between delayed-phase images of SFT and NEN with cystic degeneration. SFT is a rare tumour and radiologist should be aware of its characteristics, particularly in the setting of NEN with cystic degeneration or atypical contrast uptake. Солитарная фиброзная опухоль (СФО) является достаточно редкой опухолью, практически не встречающейся в поджелудочной железе. Содержание стромальной ткани в поджелудочной железе незначительно, этим объясняется крайне редкое возникновение в ней первичных мезенхимальных опухолей (менее 1% новообразований поджелудочной железы). В мировой литературе описано 16 подобных случаев.В статье представлено клиническое наблюдение СФО головки поджелудочной железы у мужчины 43 лет, иллюстрирующее сложности диагностики и дифференциальной диагностики между фиброзной опухолью и нейроэндокринной опухолью с нетипичным характером контрастного усиления. С целью дифференциальной диагностики также приведено наблюдение экстраплевральной солитарной фиброзной опухоли забрюшинного пространства у женщины 63 лет.Структура опухоли и характер контрастирования при КТ не позволяют однозначно дифференцировать СФО и нейроэндокринную неоплазию. Однако для фиброзной опухоли характерно постепенное уменьшение объема неконтрастируемой зоны опухоли за счет замедленного накопления контрастного препарата коллагеновой стромой в составе, тогда как при нейроэндокринных опухолях объем гиподенсного участка, как правило, в размерах не изменяется. Несмотря на низкую распространенность СФО в популяции, необходимо включить ее в дифференциально-диагностический ряд нейроэндокринных неоплазий с кистозной трансформацией или атипичным характером контрастного усиления.

Protein docking prediction using predicted protein-protein interface

<p>Abstract</p> <p>Background</p> <p>Many important cellular processes are carried out by protein complexes. To provide physical pictures of interacting proteins, many computational protein-protein prediction methods have been developed in the past. However, it is still difficult to identify the correct docking complex structure within top ranks among alternative conformations.</p> <p>Results</p> <p>We present a novel protein docking algorithm that utilizes imperfect protein-protein binding interface prediction for guiding protein docking. Since the accuracy of protein binding site prediction varies depending on cases, the challenge is to develop a method which does not deteriorate but improves docking results by using a binding site prediction which may not be 100% accurate. The algorithm, named PI-LZerD (using Predicted Interface with Local 3D Zernike descriptor-based Docking algorithm), is based on a pair wise protein docking prediction algorithm, LZerD, which we have developed earlier. PI-LZerD starts from performing docking prediction using the provided protein-protein binding interface prediction as constraints, which is followed by the second round of docking with updated docking interface information to further improve docking conformation. Benchmark results on bound and unbound cases show that PI-LZerD consistently improves the docking prediction accuracy as compared with docking without using binding site prediction or using the binding site prediction as post-filtering.</p> <p>Conclusion</p> <p>We have developed PI-LZerD, a pairwise docking algorithm, which uses imperfect protein-protein binding interface prediction to improve docking accuracy. PI-LZerD consistently showed better prediction accuracy over alternative methods in the series of benchmark experiments including docking using actual docking interface site predictions as well as unbound docking cases.</p