Full orbital calculation scheme for materials with strongly correlated electrons

We propose a computational scheme for the ab initio calculation of Wannier functions (WFs) for correlated electronic materials. The full-orbital Hamiltonian H is projected into the WF subspace defined by the physically most relevant partially filled bands. The Hamiltonian H^{WF} obtained in this way, with interaction parameters calculated by constrained LDA for the Wannier orbitals, is used as an ab initio setup of the correlation problem, which can then be solved by many-body techniques, e.g., dynamical mean-field theory (DMFT). In such calculations the self-energy operator \Sigma(e) is defined in WF basis which then can be converted back into the full-orbital Hilbert space to compute the full-orbital interacting Green function G(r,r',e). Using G(r,r',e) one can evaluate the charge density, modified by correlations, together with a new set of WFs, thus defining a fully self-consistent scheme. The Green function can also be used for the calculation of spectral, magnetic and electronic properties of the system. Here we report the results obtained with this method for SrVO3 and V2O3. Comparisons are made with previous results obtained by the LDA+DMFT approach where the LDA DOS was used as input, and with new bulk-sensitive experimental spectra.Comment: 36 pages, 14 figure

Effects of diet on blood rheological indices, cytokine concentrations, and emergence of metabolic disorders in the persons with increased body mass index

Metabolic syndrome (MS) is a serious medical and social problem due to its high prevalence, lack of common approaches to diagnosis and treatment. Prevention of food dysadaptation reactions and the studies of control mechanisms of immune tolerance to food antigens is of special scientific interest, thus providing available anti-inflammatory tools for correcting increased permeability of the intestinal epithelium and vascular endothelium associated with development of MS. Nutritional dysadaptation occurs due to inappropriate diet being mediated by the geno-phenotypic characteristics of digestive enzymes and immune system which control the efficiency of food digestion.Immunological control of digestion, including dynamic maintenance of tolerance to food antigens, is carried out at two levels of immune system: innate response with functional involvement of microbiota, and adaptive response, represented by cellular and humoral mechanisms associated with molecular epitopes and critical mass of persistent food antigens which are present in immunologically competent areas of small intestine, due to changing permeability of intestinal barrier and transcytosis processes. Patients and methods: aiming for assessment of the diet contribution to the immuno-biochemical and rheological imbalance in people with increased body weight, 170 volunteers of both sexes aged 20-55 years were examined, depending on the body mass index: > 27.0 kg/m2 (clinical group, n = 120), and those with BMI of < 25.0 kg/m2 (control group, n = 50). We have revealed statistically significant increase of multiple parameters in the clinical group, i.e., concentration of IL-6, IL-17, cholesterol, glucose, glycosylated hemoglobin, insulin, indices of insulin resistance and atherogenicity. Increased levels of specific IgG antibodies to a number of food antigens were found in the subjects in the clinical group. In the course of our study, a statistically significant relationships was found between total numbers of platelets (p < 0.05; r = 0.213), erythrocytes (p < 0.05; r = -0.211), mean erythrocyte volume (MCV) (p < 0, 05; r = 0.339), and the concentration of IgG to casein in the blood, as well as a correlation between the levels of sIgG to soybeans and the number of platelets (p < 0.05; r = 0.231). At the same time, some associations were found between the established values of IgG to casein pAG, and the risk of developing atherogenic changes (atherogenicity index > 3) being significant at OR = 2.68 (1.33-5.42), as well as between IgG values to casein pAG (OR = 8.9 (2.6-30.5)), to soybean pAG (OR = 5.6 (1.8-16.7)), to gluten pAG ((F = 0.00359. p < 0.05), and increased body mass index.The results obtained were interpreted as a possible impairment of food tolerance for a number of food antigens in individuals with high body mass index, due to the revealed correlations between concentrations of IgG to food antigens, imbalance of pro-inflammatory cytokines, rheological and metabolic parameters. These data may be used as biomarkers suggesting higher risk of evolving metabolic syndrome

Течение Covid-19 у вакцинированных пациентов

Aim of study. To conduct a retrospective analysis of treatment outcomes for COVID-19 in unvaccinated and vaccinated patients.Material and methods. The present retrospective single-center study included 209 patients who were vaccinated in history and hospitalized at the City Aleksandrovskaya Hospital for infection with COVID-19 in the period from April 5, 2020 to July 9, 2021. The average period between vaccine administration and hospitalization was 18.0 ± 11.0 days. In all cases, a positive result of the polymerase chain reaction (PCR) for the presence of SARS-CoV-2 was obtained. These patients were included in Group 1. The comparison group included 475 unvaccinated patients with comparable lung tissue damage according to multispiral computed tomography of the chest (MSCT) and a positive PCR result for the presence of SARS-CoV-2, selected randomly over the same observation period.Results. The lesions of the lung tissue according to the results of chest MSCT upon admission of the group were comparable (p=0.55). All deaths were observed in the group of unvaccinated patients (n=46; 9.7%; p<0.0001). In all cases, the cause was an increase in multiple organ failure. In the same cohort of patients, there was a statistically significantly greater number of deep vein thrombosis of the upper and lower extremities (p=0.02). In the group of vaccinated patients (1st), arterial thrombosis of various location was not diagnosed, while in the 2nd group (comparison), this pathology was detected in every 10th patient. At the same time, thrombosis of the arteries of the lower extremities developed statistically more often (n=52; 10.9%; p><0.0001). This condition was accompanied by an increase in laboratory parameters of the inflammatory reaction and coagulopathy with the progression of lung tissue damage to the 3–4th degree according to the results of MSCT. However, in 37 (7.8%) cases, open thrombectomy was not possible, and on the first day after the operation, repeated thrombosis developed, followed by amputation of the limb. In 23 (4.8%) cases, a fatal outcome was observed. Conclusion Vaccination prevents the severe course of covid-19: the progression of pneumonia, coagulopathy, and inflammatory syndrome. In vaccinated patients, no deaths, pulmonary embolism were observed, which demonstrates the absence of a severe course of the disease. All arterial thrombosis associated with covid-19 develops in unvaccinated patients and is accompanied by a high incidence of repeated thrombosis, requiring subsequent amputation of the limb. The widespread introduction of vaccination will help reduce the severity of the course and prevent complications of the new coronavirus infection. Key words: COVID-19, novel coronavirus infection, thrombosis, SARS-CoV-2, vaccine>˂0.0001). In all cases, the cause was an increase in multiple organ failure. In the same cohort of patients, there was a statistically significantly greater number of deep vein thrombosis of the upper and lower extremities (p=0.02). In the group of vaccinated patients (1st), arterial thrombosis of various location was not diagnosed, while in the 2nd group (comparison), this pathology was detected in every 10th patient. At the same time, thrombosis of the arteries of the lower extremities developed statistically more often (n=52; 10.9%; p˂0.0001). This condition was accompanied by an increase in laboratory parameters of the inflammatory reaction and coagulopathy with the progression of lung tissue damage to the 3–4th degree according to the results of MSCT. However, in 37 (7.8%) cases, open thrombectomy was not possible, and on the first day after the operation, repeated thrombosis developed, followed by amputation of the limb. In 23 (4.8%) cases, a fatal outcome was observed.Conclusion. Vaccination prevents the severe course of covid-19: the progression of pneumonia, coagulopathy, and inflammatory syndrome. In vaccinated patients, no deaths, pulmonary embolism were observed, which demonstrates the absence of a severe course of the disease. All arterial thrombosis associated with covid-19 develops in unvaccinated patients and is accompanied by a high incidence of repeated thrombosis, requiring subsequent amputation of the limb. The widespread introduction of vaccination will help reduce the severity of the course and prevent complications of the new coronavirus infection. Цель. Провести ретроспективный анализ исходов лечения COVID-19 у невакцинированных и вакцинированных пациентов.Материал и методы. В настоящее ретроспективное одноцентровое исследование вошли 209 пациентов, вакцинированных и госпитализированных в СПб ГБУЗ «Городская Александровская больница» по поводу заражения COVID-19 в период с 5 апреля 2021 по 9 июля 2021 г. Средний период между введением вакцины и госпитализацией составил 18,0±11,0 суток. Во всех случаях был получен положительный результат полимеразной цепной реакции (ПЦР) на наличие SARS-CoV-2. Данные пациенты были включены в 1-ю (основную) группу. В группу сравнения вошли 475 невакцинированных больных с сопоставимым поражением легочной ткани по данным мультиспиральной компьютерной томографии органов грудной клетки (МСКТ ОГК) и положительным результатом ПЦР на наличие SARS-CoV-2, подобранных рандомизированным способом за тот же период наблюдения.Результаты. Поражения легочной ткани согласно результатам МСКТ ОГК на момент поступления группы были сопоставимы (р=0,55). Все смертельные исходы были зафиксированы в группе невакцинированных пациентов (n=46; 9,7%; р<0,0001, статистически значимо). Во всех случаях причиной стало нарастание полиорганной недостаточности. В этой же когорте больных отмечалось статистически значимо большее количество тромбозов глубоких вен верхних и нижних конечностей (р=0,02). В группе вакцинированных пациентов (1-я) артериальные тромбозы разной локализации не диагностировались, тогда как во 2-й группе (сравнения) данная патология была выявлена у каждого 10-го больного. При этом статистически значимо чаще развивался тромбоз артерий нижних конечностей (n=52; 10,9%; р><0,0001). Данное состояние сопровождалось нарастанием лабораторных показателей воспалительной реакции и коагулопатией с прогрессированием поражения легочной ткани до 3–4-й степени по результатам МСКТ. Однако в 37 случаях (7,8%) открытая тромбэктомия оказалась невозможной, и в первые сутки после операции развился повторный тромбоз с последующей ампутацией конечности. В 23 случаях (4,8%) был зафиксирован смертельный исход. Заключение Вакцинация предупреждает тяжелое течение COVID-19: прогрессирование пневмонии, коагулопатии и воспалительного синдрома. У вакцинированных пациентов не наблюдалось смертельных исходов, тромбоэмболии легочной артерии, что демонстрирует отсутствие тяжелого течения заболевания. Все артериальные тромбозы на фоне COVID-19 развиваются у невакцинированных пациентов и сопровождаются высокой частотой повторных тромбозов, требующих последующей ампутации конечности. Широкое внедрение вакцинации будет способствовать уменьшению тяжести течения и профилактике осложнений новой коронавирусной инфекции. Ключевые слова: COVID-19, новая коронавирусная инфекция, тромбоз, SARS-CoV-2, вакцина >˂ 0,0001, статистически значимо). Во всех случаях причиной стало нарастание полиорганной недостаточности. В этой же когорте больных отмечалось статистически значимо большее количество тромбозов глубоких вен верхних и нижних конечностей (р=0,02). В группе вакцинированных пациентов (1-я) артериальные тромбозы разной локализации не диагностировались, тогда как во 2-й группе (сравнения) данная патология была выявлена у каждого 10-го больного. При этом статистически значимо чаще развивался тромбоз артерий нижних конечностей (n=52; 10,9%; р˂ 0,0001). Данное состояние сопровождалось нарастанием лабораторных показателей воспалительной реакции и коагулопатией с прогрессированием поражения легочной ткани до 3–4-й степени по результатам МСКТ. Однако в 37 случаях (7,8%) открытая тромбэктомия оказалась невозможной, и в первые сутки после операции развился повторный тромбоз с последующей ампутацией конечности. В 23 случаях (4,8%) был зафиксирован смертельный исход.Заключение. Вакцинация предупреждает тяжелое течение COVID-19: прогрессирование пневмонии, коагулопатии и воспалительного синдрома. У вакцинированных пациентов не наблюдалось смертельных исходов, тромбоэмболии легочной артерии, что демонстрирует отсутствие тяжелого течения заболевания. Все артериальные тромбозы на фоне COVID-19 развиваются у невакцинированных пациентов и сопровождаются высокой частотой повторных тромбозов, требующих последующей ампутации конечности. Широкое внедрение вакцинации будет способствовать уменьшению тяжести течения и профилактике осложнений новой коронавирусной инфекции.

RF system of electron injector for the race-track microtron-recuperator and results of its operation with electron beam

The RF system is a part of the 1.6 - 2 MeV injector for the Race-Track Microtron - Recuperator (RTMR) that is under construction at BINP, Novosibirsk, for the Center of Photochemistry. RF system has three 180.4 MHz cavities. Buncher cavity operates at the accelerating voltage of 100 kV and two accelerating cavities operate at the gap voltage up to 800 kV. Cavities are driven by 3 power amplifiers. Maximum output power of amplifier which feeds the accelerating cavity is 130 kW. Low level electronics controls phase and amplitude of RF cavity gap voltages and generates signals for synchronization of the electron gun. Maximum current of injector (45 mA) is realized at 22.5 MHz repetition rate of electron bunches. The effects of beam – RF cavities interaction and the RF system operation results are presented

Temporal mapping of photochemical reactions and molecular excited states with carbon specificity

Photochemical reactions are essential to a large number of important industrial and biological processes. A method for monitoring photochemical reaction kinetics and the dynamics of molecular excitations with spatial resolution within the active molecule would allow a rigorous exploration of the pathway and mechanism of photophysical and photochemical processes. Here we demonstrate that laser-excited muon pump-probe spin spectroscopy (photo-μSR) can temporally and spatially map these processes with a spatial resolution at the single-carbon level in a molecule with a pentacene backbone. The observed time-dependent light-induced changes of an avoided level crossing resonance demonstrate that the photochemical reactivity of a specific carbon atom is modified as a result of the presence of the excited state wavefunction. This demonstrates the sensitivity and potential of this technique in probing molecular excitations and photochemistry

Theories in Business and Information Systems Engineering

Even though the idea of science enjoys an impressive reputation, there seems to be no precise conception of science. On the one hand, there is no unified definition of the extension of activities subsumed under the notion of science. According to the narrow conception that is common in Anglo-Saxon countries, science is restricted to those disciplines that investigate nature and aim at explanation and prediction of natural phenomena. A wider conception that can be found in various European countries includes social sciences, the humanities and engineering. On the other hand and related to the first aspect, there is still no general consensus on the specific characteristics of scientific discoveries and scientific knowledge

Istorīi͡a vizantīĭskago iskusstva i ikonografīi po minīati͡uram grecheskikh rukopiseĭ

This is a revised and updated version of the original 1876 edition

Arkheologicheskoe puteshestvīe po Sirīi i Palestini︠e︡ /

Includes bibliographical references and indexes.Mode of access: Internet

Pami︠a︡tniki khristīanskago iskusstva na Aḟoni︠e︡.

Mode of access: Internet