SAFT-γ force field for the simulation of molecular fluids: 8. hetero-group coarse-grained models of perfluoroalkylalkanes assessed with new vapour-liquid interfacial tension data

The air-liquid interfacial behaviour of linear perfluoroalkylalkanes (PFAAs) is reported through a combined experimental and computer simulation study. The surface tensions of seven liquid PFAAs (perfluorobutylethane, F4H2; perfluorobutylpentane, F4H5; perfluorobutylhexane, F4H6, perfluorobutyloctane, F4H8; perfluorohexylethane, F6H2; perfluorohexylhexane, F6H6; and perfluorohexyloctane, F6H8) are experimentally determined over a wide temperature range (276 to 350 K). The corresponding surface thermodynamic properties and the critical temperatures of the studied compounds are estimated from the temperature dependence of the surface tension. Experimental density and vapour pressure data are employed to parameterize a generic heteronuclear coarse-grained intermolecular potential of the SAFT- γ family for PFAAs. The resulting force field is used in direct molecular dynamics simulations to predict with quantitative agreement the experimental tensions and to explore the conformations of the molecules in the interfacial region revealing a preferential alignment of the PFAA molecules towards the interface and an enrichment of the perfluoro-groups at the outer interface region

Personalized patterns of teachers training in document science course subjects in a vocational pedagogical university

The article is focused on the study of challenging issues which occur when updating methodological-pedagogical support and applying personalized educational paths in the training of future teachers of document science course subjects for intermediate vocational education institutions, as well as according to various other programmes of students training as part of the "Vocational training (by branches)" course. The key method of the given problem research is meant to be analysis and experience summarization of vocational-oriented, academic, teaching and guiding and scientific work with the students of Russian State Vocational Pedagogical University, being taught according to principal educational programme "Document management in an organization" as part of "Vocational training (by branches)" preparation as well as learning methodological approaches for creating personalized educational paths for them. Research results: developed approaches to applying personalized educational paths in the training of students in a vocational pedagogical university; drawn-up recommendations on updating methodological-pedagogical support in the training of future teachers of document science course subjects for intermediate vocational education institutions, undertaken analysis of the possible ways of improving their training. The content of the article may prove helpful for: university faculty and universities chief executives for the improvement of the training quality of future professionals, for more effective educational process organization, for forming personalized educational paths in the training of students; for chief executives of intermediate vocational education institutions where the specialized training "Document support of management and archive science" is provided; for students being trained as part of "Vocational training (by branches)" course. © Authors

The main approaches to the design the course «Mathematical modeling» master’s training

The article discusses the main ideas of the construction of the educational process of the course «Mathematical modeling» for the mastersРассматриваются основные идеи построения образовательного процесса курса «Математическое моделирование» для магистро

Possible association between corneal infections and contact lenses wearing to correct ametropia in children

Possible association between corneal infections and contact lenses (CLs) wearing of various design to correct ametropia in children was analyzed. Between 2011 and April 2014, 20 children (7 boys, 13 girls) aged 9‑17 years which were diagnosed with traumatic keratitis were admitted to Morozov Children’s Hospital. All patients used CLs (rigid, n = 1; soft, n = 9; orthokeratology, n = 10) to correct ametropia for 6‑48 months. There are pretty strong evidences that CLs (including orthokeratology ones) provide better quality of vision and life as compared with spectacles, reduce myopia progression, and promote better accommodation. However, in spite of these advantages, CLs have disadvantages as well. People who wear CLs may require frequent eye care specialist follow-up due to the higher risk of corneal disorders. Even nearly perfect CL represents a foreign body (especially for a children eye) that may provoke numerous complications including severe ones. With accurate fitting, proper care, and careful monitoring of the cornea, CLs should be safe and effective

Нейровизуализационные особенности строения головного мозга у детей с детским церебральным параличом, полученные методом магнитно-резонансной трактографии

Aim. To perform quantitative evaluation of the degree of white matter tract abnormalities in children with spastic cerebral palsy by magnetic resonance tractography to determine severity of the disease, as well as to carry out a dynamic assessment of treatment effectiveness.Materials and methods. The study included 46 children (32 males, 14 females; average age 5.4 ± 1.1 years). The participants were divided into two groups. The experimental group consisted of 23 children with spastic cerebral palsy. The control group included 23 children without any neurological disorder. Examination of the brain was performed on the Siemens Essenza 1,5 Т system (Siemens, Germany) and included magnetic resonance tractography to reconstruct the major white matter tracts. The number of fibers, average fractional anisotropy value, apparent diffusion coefficient, and coefficient of myelination of major white matter tracts in the brain were calculated and analyzed.Results. We found a significant difference in the above-stated parameters between the groups. The experimental group showed a decrease in the absolute number of fibers at the central and posterior segments of the corpus callosum, corticospinal tracts, and left inferior longitudinal fasciculus. Besides, we detected a decrease in fractional anisotropy at 2–5 segments of the corpus callosum and right lateral corticospinal tract, an increase in the apparent diffusion coefficient at 2, 4, and 5 segments of the corpus callosum and left lateral corticospinal tract, and a decrease in the myelination coefficient in all the examined tracts, except for superior longitudinal fasciculus. We revealed a positive correlation between the intensity of the motor disturbance and the coefficient of myelination at the anterior corpus callosum and inferior longitudinal fasciculus.Conclusion. Magnetic resonance tractography is an informative technique for unbiased evaluation of white matter tract anatomy, as well the level and degree of motor tract damage. The most useful characteristics of white matter tract anatomy are the absolute number of fibers in the tract, fractional anisotropy, and coefficient of myelination. Some of them correlated with the intensity of motor disturbance, so they can be regarded as potential predictors of rehabilitation potential. Цель. Количественная оценка степени нарушений развития проводящих путей головного мозга у детей со спастическими формами детского церебрального паралича (ДЦП) методами магнитно-резонансной (МР) трактографии для определения тяжести заболевания, а также оценка динамики эффективности лечения.Материалы и методы. Обследованы 46 детей 4–7 лет (средний возраст (5,4 ± 1,1) лет), из них 14 девочек (33%) и 32 мальчика (66%). Пациенты разделены на две группы. Исследуемую группу составили 23 пациента со спастическими формами ДЦП. В контрольную группу вошли 23 ребенка без неврологического дефицита. Исследование головного мозга проводилось на МР-томографе Siemens Essenza 1,5 Т (Siemens, Германия) и включало метод МР-трактографии. Были рассчитаны и обработаны: количество волокон, средний показатель фракционной анизотропии, коэффициент диффузии, коэффициент миелинизации основных проводящих путей головного мозга.Результаты. Выявлена достоверная разница указанных выше показателей между пациентами исследуемой и контрольной групп. У детей с ДЦП отмечалось снижение абсолютного количества волокон в области центральных и заднего сегментов мозолистого тела, кортикоспинальных трактов и левого нижнего продольного пучка. Также определялось снижение показателя фракционной анизотропии волокон в области 2–5-го сегментов мозолистого тела, правого кортикоспинального тракта; повышение коэффициента диффузии в области 2, 4, 5-го сегментов и левого кортикоспинального тракта; снижение коэффициента миелинизации во всех исследуемых трактах, за исключением верхних продольных пучков. Выявлена положительная корреляция между  выраженностью моторного дефицита и коэффициентом миелинизации в области переднего сегмента мозолистого тела и нижних продольных пучков.Заключение. МР-трактография является информативным методом объективной оценки организации проводящих путей головного мозга, уровня и степени поражения моторных трактов. Наиболее информативными характеристиками организации проводящих путей являются абсолютное количество волокон в тракте, показатель фракционной анизотропии, а также расчетный показатель – коэффициент миелинизации. Некоторые из выявленных изменений коррелировали с выраженностью моторного дефицита, что позволяет рассматривать их как потенциальные предикторы реабилитационного прогноза

СЛУЧАЙ МИОПАТИИ ЭРБА-РОТА

The article presents a clinical case of a patient with Erb-Roth’s hereditary neuromuscular dystrophy presented with severe cardiomyopathy.В статье представлен клинический случай развития тяжелой формы кардиомиопатии у пациента, страдающего наследственным нейромышечным заболеванием – миопатией Эрба-Рота