Quantum-chemical study of the effects of noncovalent interactions on the nuclear magnetic screening constants of pyrimidine base associates

The effects of weak noncovalent interactions on the nuclear magnetic screening (NMS) constants (σ 1H), (σ 13C) and charge distribution (q t ) on atoms in van der Waals model associates of unsubstituted and substituted pyrimidines and substituted uracil are considered. The NMS constants were calculated by the UB3LYP/6-31G(d,p) with GIAO functions. The correlation dependences of the 1H and 13C σ constants on the charge q on atoms whre constructed. It were shown that they can be represented as polynomials that include the terms that are linear and quadratic relative to the charge. The relations obtained in this way are similar in form and close in magnitude to the coefficients of the known Buckingham and Augspurger functions that describe the electric field effects on the nuclear magnetic screening constants. It was found that the coefficients in these polynomials have a definite physical sense in that they characterize nuclear magnetic screening and the "screening polarizability" tensor in the unperturbed molecule and associate, respectively. The NMS constants and charge distribution in pyrimidine base associates and accordingly the coefficients that reflect their values in polynomials depend on the form, size, and composition of the associate and can vary significantly depending on the position of the pyrimidine base in the associate. © 2007 Springer Science+Business Media, Inc

Justification of the choice of units for mains-noah soil cultivation of sweet sorghum and their effectiveness

The article is devoted to problems of improving the efficiency of tillage crops. Presents an approach that focuses on the application of resource-saving technologies. To investigate the relationship between the financial welfare of the management and selection of units for primary processing of the soil. Conducted economic evaluation and identified the energy efficiency of main processing of the soil under sweet sorghum

Innovative production technology ethanol from sweet sorghum

The paper considers the technological aspects of production of ethanol from nontraditional for Russian Federation crops - sweet sorghum. Presents the technological scheme of alcohol production and fuel pellets from sweet sorghum. Special attention is paid to assessing the efficiency of alcohol production from sweet sorghum. The described advantage of sugar content in stem juice of sweet sorghum compared with other raw materials. Allegedly, the use of the technology for producing alcohol from sweet sorghum allows to save resources

Comparative evaluation of different machines for seedbed for sorghum

© Published under licence by IOP Publishing Ltd. The purpose of research - selection of the optimal composition of agricultural equipment for seedbed preparation for sweet sorghum. Identified and disclosed to the essential characteristics of technology. Thus, innovation in relation to agribusiness - is a new technology, new equipment, new plant varieties, new fertilizers and plant protection products. A special place is occupied by technical-technological and production innovatsii. In order to optimize the total cost in the cultivation of sorghum it is recommended to review the composition of sowing complexes, in order to optimize the timing of sowing, as well as reducing the complexity of the implementation

Energy-saving technologies of cultivation of sugar sorghum

© Published under licence by IOP Publishing Ltd. The article describes the main elements of energy-saving technologies of cultivation of sugar sorghum, which, in particular, is the introduction of the combined units. Integrated units allow for one pass across the field to perform up to eight operations, thereby ensuring a significant reduction in energy costs, but there are certain negative points

SECURITY OF THE POPULATION AND TERRITORY WHEN OPERATING THE ENTERPRISE OF THE MACHINE-BUILDING COMPLEX IN STATE AND EMERGENCY SITUATIONS

The article is devoted to the study of the processes of work of a machine-building enterprise, the causes of harm to the population and the environment, ensuring the safety of the population and the territory as a result of the explosion of a boiler-house of a machine-building enterprise during a gas pipeline depressurization.Статья посвящена изучению процессов работы машиностроительного предприятия, причинам возникновения вреда населению и окружающей среде, обеспечению безопасности населению и территории вследствие взрыва котельной машиностроительного предприятия при разгерметизации газопровода

DISPOSAL OF GALVANIC WASTE AND THE USE OF THEM IN THE PRODUCTION OF BUILDING MATERIALS

The article is devoted to the study of the possibility of utilization of chromium-containing wastes of galvanic productions of a machine-building enterprise, especially their use in the manufacture of ceramic products and in the production of building materials based on hydraulic binders. The plasticizing effect of galvanic sludge was revealed and it was found that when using sludge in the form of additives in concrete and mortars, it reduces cement consumption with equal strength.Статья посвящена изучению возможности утилизации хромосодержащих отходов гальванических производств машиностроительного предприятия, особенности их применения в изготовлении керамических изделий и в производстве строительных материалов на основе гидравлических связующих. Выявлено пластифицирующее действие гальваношламов и установлено, что при применении шламов в виде добавок в бетон и строительные растворы приводит к снижению расхода цемента при равно прочности

Research activities promotion of pharmaceutical faculty students at the department of general chemistry

This paper shows that, in connection with the introduction of the new federal state standards in modern Russian education, involving the training of competent, intellectual, creatively developing person having the skills of research activity, an effective mechanism for the formation of intellectual culture, development and implementation of youth innovation potential is continuous system of organization student’s research activity. There is the experience of students’ involvement in research and development, which is realized in the educational process in teaching students of pharmaceutical faculty. We consider the types, forms and functions of research.В данной работе показано, что в связи с введением новых федеральных государственных стандартов в современном российском образовании, предполагающих подготовку компетентной, интеллектуальной, творчески развивающейся личности, имеющей навыки научно-исследовательской деятельности, эффективным механизмом формирования интеллектуальной культуры, развития и реализации инновационного потенциала молодежи является непрерывная система организации научно-исследовательской деятельности студентов. Представлен опыт вовлечения студентов в научно-исследовательскую деятельность, который внедрен в образовательный процесс при обучении студентов фармацевтического факультета. Рассматриваются виды, формы и функции научно-исследовательской работы

The role of cytokines in the mechanism of development of chronic generalized periodontitis

The article presents information on the role of cytokines in the pathogenetic mechanisms of development of chronic inflammation in periodontal tissues. The aim of the study was the investigation of the mechanisms of cytokine regulation in chronic inflammatory process in periodontal tissues in patients with chronic generalized periodontitis and brakesman. Methodology. The object of study steel 317 patients with periodontal disease easy and moderate severity. Investigated in oral fluid range of cytokines to determine their role in the pathogenetic mechanisms of development of chronic inflammation in periodontal tissues. The control group consisted of 112 people. Both groups were matched for age and sex. Results. Among patients with chronic generalized periodontitis were identified statisticheski significant imbalance of Pro - and anti-inflammatory cytokines. State changes in the status of cytokines has allowed to determine the informative criteria with prognathic value in the oral fluid, contributing to reduction in inflammation. Conclusions. The revealed changes testify to the breakdown of adaptive processes and the development of clinical symptoms of periodontal disease.В статье представлены сведения о роли цитокинов в патогенетических механизмах развития хронического воспаления в тканях пародонта. Целью исследования послужило изучение механизмов цитокиновой регуляции при хроническом воспалительном процессе в тканях пародонта у пациентов с хроническим генерализованным пародонтитом и брукизмом. Методология. Объектом изучения стали 317 пациентов, имеющих заболевание пародонта легкой и средней степени тяжести. Исследовали в ротовой жидкости спектр цитокинов для выявления их роли в патогенетических механизмах развития хронического воспаления в тканях пародонта. Группу контроля составили 112 человек. Обе группы были сопоставимы по возрасту и полу. Результаты. Среди пациентов с хроническим генерализованным пародонтитом был выявлен статитически значимый дисбаланс про- и противовоспалительных цитокинов. Изменения состояния в их статусе цитокинов позволили определить информативные критерии обладающие прогнатической ценностью в ротовой жидкости, способствующие купированию воспалительных процессов. Выводы. Выявленные изменения свидетельствуют о срыве адаптационных процессов и развитии клинических симптомов заболевания пародонта

Quantum-chemical study of the effects of noncovalent interactions on the nuclear magnetic screening constants of pyrimidine base associates

The effects of weak noncovalent interactions on the nuclear magnetic screening (NMS) constants (σ 1H), (σ 13C) and charge distribution (q t ) on atoms in van der Waals model associates of unsubstituted and substituted pyrimidines and substituted uracil are considered. The NMS constants were calculated by the UB3LYP/6-31G(d,p) with GIAO functions. The correlation dependences of the 1H and 13C σ constants on the charge q on atoms whre constructed. It were shown that they can be represented as polynomials that include the terms that are linear and quadratic relative to the charge. The relations obtained in this way are similar in form and close in magnitude to the coefficients of the known Buckingham and Augspurger functions that describe the electric field effects on the nuclear magnetic screening constants. It was found that the coefficients in these polynomials have a definite physical sense in that they characterize nuclear magnetic screening and the "screening polarizability" tensor in the unperturbed molecule and associate, respectively. The NMS constants and charge distribution in pyrimidine base associates and accordingly the coefficients that reflect their values in polynomials depend on the form, size, and composition of the associate and can vary significantly depending on the position of the pyrimidine base in the associate. © 2007 Springer Science+Business Media, Inc