Modeling of graphene-based NEMS

The possibility of designing nanoelectromechanical systems (NEMS) based on relative motion or vibrations of graphene layers is analyzed. Ab initio and empirical calculations of the potential relief of interlayer interaction energy in bilayer graphene are performed. A new potential based on the density functional theory calculations with the dispersion correction is developed to reliably reproduce the potential relief of interlayer interaction energy in bilayer graphene. Telescopic oscillations and small relative vibrations of graphene layers are investigated using molecular dynamics simulations. It is shown that these vibrations are characterized with small Q-factor values. The perspectives of nanoelectromechanical systems based on relative motion or vibrations of graphene layers are discussed.Comment: 19 pages, 4 figure

Indices of dental health in children and adolescents from Saratov and the Saratov region

<p>Objective: to determine the level of dental health in children and adolescents living in the Saratov region. Material and methods. To assess the intensity and prevalence of major dental diseases 1510 patients have been examined by the method recommended by the WHO Collaborating Centre in Russia. Results. A comparative analysis of caries and occurrence of different types of teeth-maxillary anomalies among children aged from 3 to 18 years. Conclusion. The epidemiology of major dental diseases in the Saratov region is characterized by the significant spread of caries from 70 to 94,6% in the different age groups. The proportion of people with malocclusion among the surveyed reaches 46,6%.</p

Снижение сывороточного уровня морфогенетического белка Klotho у больных хронической болезнью почек: клиническое значение

Objective: to determine the role of serum Klotho (s-Klotho) protein levels changes in patients with different stages of chronic kidney disease (CKD).Methods: The study involved 130 patients with CKD stages 1–5D (mean age ― 41±6.7 years). Serum levels of parathyroid hormone (PTH), calcium, phosphorus and s-Klotho protein (ELISA method) at baseline and after 1 year of follow-up were examined in all the patients so as the blood pressure (BP), including central (aortic), pulse wave velocity ― with the help of «Sphygmоcor» (Australia), echocardiography, radiography of the abdominal aorta in a lateral projection were also performed.Results: when comparing the s-Klotho levels in patients with different CKD stages, it was found that the level change associated with the reduction of glomerular filtration rate (GFR) ahead of phosphorus and PTH increase in serum, stared at 3A CKD, whereas hyperphosphatemia and PTH increase started at 4–5 CKD stages. According to ROC analysis, decreasing of s-Klotho levels below 387 pg/ml was indicated a calcification risk of abdominal aorta increased with an 80% sensitivity and 75% specificity. In addition, a strong negative relationship of low s-Klotho levels and heart remodeling was found. When comparing the patients with hypertension who were receiving antihypertensive monotherapy, the highest serum levels of Klotho protein were observed in those of them whose target blood pressure level was achieved primarily through Angiotensin II Receptors Blockers (ARB), compared to those who was administered another drug group (p0.01) or has not reached the target blood pressure level (p=0,008).Conclusion: The change of serum Klotho levels (decrease) in CKD progression is associated with the degree (increase) of cardiovascular calcification and remodeling (the development of left ventricular hypertrophy, and cardiomyopathy) and it can be seen as an early independent marker of the cardiovascular system lesions in CKD. Our preliminary data of the effect of blood pressure correction on s-Klotho levels may indicate the possibility of drug maintaining serum Klotho levels and it requires further research.Цель исследования: определить значение изменения сывороточного уровня белка Klotho (s-Klotho) у пациентов с хронической болезнью почек (ХБП) 1–5D стадий.Методы. Обследованы 130 больных ХБП 1–5D стадий (67 мужчин и 63 женщины; средний возраст 41±6,7 года). Причинами ХБП у обследованных больных были хронический гломерулонефрит ― у 30, тубулоинтерстициальный нефрит (лекарственной, подагрической этиологии) ― у 23, поликистоз почек ― у 22, гипертензивный нефросклероз ― у 28, сахарный диабет 2-го типа ― у 27. У всех больных исходно и через 1 год наблюдения исследованы сывороточные уровни паратиреоидного гормона (ПТГ), кальция, фосфора, белка s-Klotho (методика ELISA). Всем пациентам измеряли уровень артериального давления (АД), в том числе центрального (аортального), скорость пульсовой волны с помощью аппарата SphygmоCor (Австралия); выполняли эхокардиографию, рентгенографию брюшной аорты в боковой проекции.Результаты. При сравнении уровня s-Klotho у больных с разными стадиями ХБП оказалось, что по мере снижения скорости клубочковой фильтрации (СКФ) его изменение в сыворотке начинается уже с 3А стадии ХБП и опережает повышение уровня фосфора и ПТГ, которые отмечены с 4–5-й стадии ХБП. Согласно ROC-анализу, значение s-Klotho ниже 387 пг/мл с чувствительностью 80% и специфичностью 75% свидетельствовало об увеличении риска кальцификации aбдоминальной аорты. Кроме того, выявлена cтатистически значимая отрицательная взаимосвязь низкого уровня s-Klotho c ремоделированием сердца (развитие гипертрофии левого желудочка и кардиомиопатии). При сравнении пациентов с артериальной гипертензией, которые получали антигипертензивную монотерапию, наиболее высокий уровень белка s-Klotho отмечен у пациентов, у которых целевой уровень АД был достигнут преимущественно с помощью блокаторов рецепторов к ангиотензину II, по сравнению с теми, кто использовал другие группы препаратов (р0,01) или не достиг целевого уровня АД (p=0,008).Заключение. Изменение сывороточного уровня Klotho (снижение) по мере прогрессирования ХБП ассоциировано с увеличением степени ремоделирования сердца и кальцификации сердца и сосудов и может рассматриваться в качестве раннего самостоятельного маркера поражения сердечно-сосудистой системы при ХБП. Полученные нами предварительные данные о влиянии коррекции АД на уровень s-Klotho свидетельствуют о возможности медикаментозного поддержания сывороточного уровня s-Klotho и требуют дальнейших исследований

Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems

Over the last few years, extraordinary advances in experimental and theoretical tools have allowed us to monitor and control matter at short time and atomic scales with a high degree of precision. An appealing and challenging route toward engineering materials with tailored properties is to find ways to design or selectively manipulate materials, especially at the quantum level. To this end, having a state-of-the-art ab initio computer simulation tool that enables a reliable and accurate simulation of light-induced changes in the physical and chemical properties of complex systems is of utmost importance. The first principles real-space-based Octopus project was born with that idea in mind, i.e., to provide a unique framework that allows us to describe non-equilibrium phenomena in molecular complexes, low dimensional materials, and extended systems by accounting for electronic, ionic, and photon quantum mechanical effects within a generalized time-dependent density functional theory. This article aims to present the new features that have been implemented over the last few years, including technical developments related to performance and massive parallelism. We also describe the major theoretical developments to address ultrafast light-driven processes, such as the new theoretical framework of quantum electrodynamics density-functional formalism for the description of novel light-matter hybrid states. Those advances, and others being released soon as part of the Octopus package, will allow the scientific community to simulate and characterize spatial and time-resolved spectroscopies, ultrafast phenomena in molecules and materials, and new emergent states of matter (quantum electrodynamical-materials)

Emotional development in the structure of formation of professional competences at future teachers

The article contains the results of studies of students� emotional development in terms of readiness for innovative education and the opportunities of the formation of professional pedagogical skills. The authors formulated psychological and pedagogical conditions for the development of emotional and value students� attitudes toward education

Sanitary-epidemiological audit in russia and abroad: challenges and growth prospects (analytical review)

The shaping the system of control and surveillance activities in the Russian Federation, which affects the bodies of the sanitary-epidemiological surveillance, requires the development of new forms of cooperation between authorities and legal entities, individual entrepreneurs and population. Such a form may be represented by the sanitary and epidemiological audit as an independent objective assessment of reputable third parties. The audit is intended to check the compliance with the mandatory requirements of the economic entities, performing economic or other activities. The sanitary-epidemiological audit may be associated with a system of certification for compliance with sanitary requirements and may assume the documented confirmation of the compliance issued by the authorized persons. The sanitary-epidemiological audit and the compliance certification to mandatory sanitary requirements can make an alternative to the planned supervision activities on facilities attributed to the category of low and moderate risk of harm to human health. The Russian sanitary legislation does not recognize the sanitary-epidemiological audit as a form of conformity assessment. The analysis of the international experience shows that it is necessary to consolidate the general rules and regulations of the sanitary-epidemiological audit at the legislative level and to develop a set of sublegislative documents in order to implement these norms. The crucial is a creation of the national system capable to regulate the registration and functioning of the organization having a right to conduct the audit activities in the field of hygienic safety. It is reasonable to develop the regulation on the list-register of auditors and to create a special training system for the auditors, who possess the methodology for health risk assessment. The key aspect of the successful introduction of the audit is a granting of presences to the economic entities having compliance certificates as a result of voluntary sanitary-epidemiological audit. The authorities for the accreditation and monitoring of the audit firms in the field of sanitary and epidemiological safety can be given to a federal executive body competent in this field

Strategy and tactics for building up efficient risk-communications in the sphere of food products safety

The authors highlight that contemporary social and economic processes require development of a new paradigm for discussing human health risks caused by food products distribution (risk-communications). Today such a model is replaced with a "prototype" of risk-communication, or simple informing. And as there is no "feedback" from risk recipients, it is impossible to adequately adjust information flows or assess their efficiency. Consequently, risks tend to be underestimated or aggravated by consumers. Working our decisions on managing risks and plans how to implement them are to be solved jointly by experts, authorities, and population. It is shown that there are some basic ways to build up an efficient risk-communications system in the sphere of food products safety; to do that, we need to achieve greater information activity and interest of population in issues related to products quality and safety; to form a stable attitude towards self-preserving behavior among people; to improve a state system for interaction between all the concerned parties on issues related to population health and food products safety. It is extremely important to fully use channels for information dissemination that are in demand by a target audience (for example, active application of social media) and to created conditions for public discussions about risks. Tactical tasks are methodical guidance on forms and means of providing information about health risks as they are to be relevant for a target audience. Expert community involvement into a constructive risk dialogue is a significant tool for increasing risk-communications efficiency. As population tends to trust scientists, experts, and doctors more than public persons, representatives from these expert groups are to play a significant social role in a system of efficient risk-communications

Stability of economy of the organizations under the conditions of modern economic environment

The article is devoted to the author’s approach to the formation of indicators of the sustainability of the economy of organizations. The developed approach holds the attention focused on its classical understanding, modified for the modern entrepreneurial era, based on the environment of organizations’ activities, a term of internal (interpolation) and external (extrapolation) factors that form their costs, determine the financial result and its efficiency, on which the prospective financial benefit. The study considered the selected resulting and factor indicators of the sustainability of the economy of organizations: the efficiency and cost of activities, changes in their results and costs under the influence of qualitative (profitability, profitability, expense) and quantitative (income, profit, costs) parameters of activity in dynamics. The construction of these dependencies between the selected combination of the resulting and factor indicators of the stability of the economy of organizations is carried out through the union of differentiated by types of additive, multiplicative and multiple interactions of intermediate (factor) values with the final (resulting) values. The combination of all types of dependencies that form a common system of the studied indicators will provide organizations with an accurate assessment of the analyzed final values and ranking pursuant to the degree of significance of the values of the intermediate group and the adoption of objective measures to optimize the sustainability of their economies. The material will benefit entrepreneurs of all spheres and industries, carrying out their activities under the current economic mechanism, education and science workers, students in economic areas