•The role of water in SBA-15 on SH- and NH2-organosilane loading was studied.•The higher the amount of water the higher the level of modifier loading occurs.•The amount of MPTMS and water in SBA-15 ...affects on oligomerization of MPTMS.•Too high density of modifier in SBA-15 decreases catalytic activity.
The role of water present in the mesopores of SBA-15 on the level of (3-mercaptopropyl)trimethoxysilane (MPTMS) and ((3-aminopropyl)trimethoxysilane (APTMS) for comparison) loading and their stability were studied by experimental and theoretical approaches. N2 ads./des., XRD, XPS, FTIR, thermogravimetry and elemental analyses were used for materials characterization. The results obtained from the periodic DFT calculations and the ab initio molecular dynamics (AIMD) simulations were analyzed to study various possible structures of anchored MPTMS on the surface of SBA-15. Experimental results were very well consistent with theoretical calculations and indicated that the higher the amount of water in SBA-15 the higher the level of modifier loading was obtained. Theoretical calculations allowed the explanation of such feature. The effect of water and modifier concentration in SBA-15 on the oligomerization of MPTMS was considered. The catalytic activity was analyzed in the context of the anchored modifier amount and forms. The H2S release and CC bond formation in the modifier moiety after thermal treatment of the sample in vacuum was analyzed. The effect of water on the efficiency of MPTMS loading on differently hydrated SBA-15 as well as on its forms and properties is presented for the first time, according to our knowledge.
► The article presents the principles, reception and criticism of facet analysis (FA). ► Epistemologically FA lacks an empirical and pragmatic basis. ► FA provides a speculative ordering of ...knowledge. ► FA is based on the problematic assumption that relations between concepts are a priori.
The facet-analytic paradigm is probably the most distinct approach to knowledge organization within Library and Information Science, and in many ways it has dominated what has be termed “modern classification theory”. It was mainly developed by S.R. Ranganathan and the British Classification Research Group, but it is mostly based on principles of logical division developed more than two millennia ago. Colon Classification (CC) and Bliss 2 (BC2) are among the most important systems developed on this theoretical basis, but it has also influenced the development of other systems, such as the Dewey Decimal Classification (DDC) and is also applied in many websites. It still has a strong position in the field and it is the most explicit and “pure” theoretical approach to knowledge organization (KO) (but it is not by implication necessarily also the most important one). The strength of this approach is its logical principles and the way it provides structures in knowledge organization systems (KOS). The main weaknesses are (1) its lack of empirical basis and (2) its speculative ordering of knowledge without basis in the development or influence of theories and socio-historical studies. It seems to be based on the problematic assumption that relations between concepts are a priori and not established by the development of models, theories and laws.
Waterborne hazardous organic pollutants, including malachite green (MG) dye, remain a major environmental concern due to their detrimental effects on ecosystems and humans. In the present paper, the ...MG dye removal from aqueous solutions by nickel oxide (NiO) is investigated; used NiO has been prepared using the precipitation method. Structural characterization and properties of the adsorbent were performed via various physicochemical methods such as X-ray diffraction, Fourier transform infrared spectroscopy, scanning electron microscopy, and N
2
adsorption/desorption measurements. The results revealed that the maximum adsorption capacity and removal rate were 800 mg/g and about 99%, respectively. On the other hand, the adsorption kinetics follows the pseudo-second-order model. However, thermodynamics showed that: (i) Δ
S
° > 0 indicated an increase of disorder in the solid/liquid interface, (ii) Δ
H
° > 0 confirmed the endothermic nature of the adsorption process, and (iii) Δ
G
° < 0 demonstrated the spontaneous nature of MG adsorption. The calculated adsorption energies MCS/SAA
E
Gas
= − 409.638 kcal and
E
Aqueous
= − 416.856 kcal confirmed that the MG removal by adsorption on NiO is theoretically and experimentally favorable. In addition, MG molecules are adsorbed in a planar orientation on the NiO surface sites; the optimal interfacial contact is achieved. Finally, a mechanism was proposed to explain the adsorption of MG dye onto nickel oxide.
The aim of this study was to investigate the topological reorganization of the brain default mode network (DMN) in patients with irritable bowel syndrome (IBS) using resting-state functional magnetic ...resonance imaging (rs-fMRI). With approval by our ethics committee, rs-fMRI was prospectively performed in 31 IBS patients (25 male, 27 ± 8 years) and 32 healthy controls (25 male, 29 ± 9 years). The DMN was determined by unbiased seed-based functional connectivity (FC) analysis and then parcellated into several subregions. FC across all pairs of DMN subregions was computed to construct the DMN architecture, for which topological properties were characterized by graph theoretical approaches. Pearson correlation was performed between abnormal DMN inter-regional FC and network measures and clinical indices in IBS patients. Compared to healthy controls, IBS patients showed decreased DMN inter-regional FC between the anterior cingulate cortex and precuneus, the medial orbital of the superior frontal gyrus (ORBsupmed) and precuneus, and the middle temporal gyrus and precuneus. IBS patients also showed decreased DMN global efficiency (
E
glob
). Inclusion of anxiety and depression as covariates abolished FC between ORBsupmed and precuneus and some
E
glob
differences. The average DMN FC was positively correlated with average
E
glob
(
r
= 0.47,
P
= 0.008) and negatively correlated with symptom severity score (
r
= −0.37,
P
= 0.04) in IBS patients. In conclusion, IBS patients showed topological reorganization of the DMN to a non-optimized regularity configuration, which may partly be ascribed to high levels of anxiety and depression.
Постоянное обновление рынка программных продуктов, приведшее к массовой компьютеризации рабочих мест, высокой степени автоматизации производства и радикальному изменению мира профессий делает ...возможным его рассмотрение в качестве процесса и ключевого результата инновационных преобразований, к которым ряд авторов преимущественно относят именно технико-технологические нововведения, при этом огромное значение имеет информационная и психологическая поддержка персонала в обучении работе с компьютерными системами. Цель. Цель исследования состояла в рассмотрении методологии «принятия информационных технологий» (the technology acceptance), основным индикатором которого является интенсивность использования технологий, выявляемая с помощью метрик, разработанных в менеджменте информационных систем и проблемной области взаимодействия «человек — компьютер». Приведён ряд теоретических моделей, широко распространённых в зарубежных публикациях (модель принятия информационных технологий, объединённая теория принятия и использования информационных технологий, модель использования персональных компьютеров, модель соответствия рабочих задач и технологий), но ограниченно применяющихся для анализа организационно-психологических проблем внедрения информационных систем в России. Выводы. Психологическая проблематика в вопросах формирования и повышения поведенческого намерения пользователей активно применять информационные системы на рабочем месте представляется нам наиболее недооценённой, несмотря на развитие перечисленных теорий в рамках социально-психологических концепций. Соответствующие работы в отечественном информационном пространстве практически отсутствуют, а немногочисленные исследования выполнены в сфере экономики. По мнению авторов, дальнейшее изучение феномена принятия информационных технологий способствует формированию более полной картины природы психологических барьеров, связанных с использованием информационных систем на уровне групп и отдельных исполнителей.
Introduction Kilby, Jane; Ray, Larry
The Sociological review (Keele),
December 2014, Volume:
62
Journal Article
Peer reviewed
After many decades of neglect, sociologists have in recent years been giving renewed attention to violence and the problem of how to develop theoretically informed approaches to questions of ...definition, understanding and explanation. This volume is part of this ongoing project, which has an urgency generated both by the reality of violence and suffering and the need to address previous lack of sociological engagement. Violence is a complex phenomenon that involves violation, trauma and loss, which requires sociologists to contemplate the antithesis of the social, which is not anything as simple as ‘antisocial behaviour’. While violence is a negative phenomenon that has no obvious antonym, it is clearly part of social life, social structures and institutions. It is at times also an agent of social and political change. In many ways confrontation with violence takes sociology to its limits and as both literary writers and sociologists have claimed, the attempt to understand it will ultimately lead us into the dark. A new sociology is one committed to imaginative, innovative ways of exploring violence, with inspiration sought from cognate disciplines and from art and literature.
Problem statement . Modern teacher education is designed to meet the needs of the state and the requests of society related to the global information and digital transformation. This strengthens the ...tendency to modernize the system of teacher training at the state, regional, local and subject levels. Based on the analysis of the concepts of “digitalization”, “informatization”, “pedagogical education”, “pedagogical activity”, the filling of the parameters of digital education, depending on its functions to ensure the quality of pedagogical education at all levels is determined. The interconnection and interdependence of the components of the digital educational environment and the structural and functional constructs of teacher education are considered. Methodology. The definition of problems and prospects for the development of informatization and digitalization of teacher education is based on a terminological and content-functional analysis of the concepts of digitalization and informatization of education, the digital educational environment. A structural and functional analysis of the positive domestic experience in the formation of information and digital educational environments in the universities of the Russia was carried out. The criteria for the directions of development of informatization and digitalization of teacher education was specified, based on the requirements of the state reflected in regulatory documents, the requests of regions, determined on the basis of an analysis of strategies for their development, modernization of the structure, content and requirements for training at the institutional level. Results. The theoretical aspects of the conjugation of the terms of informatization and digitalization, influencing the modernization of the sphere of teacher training, have been identified and substantiated. The problems of the system of teacher education are considered, which indicate the need for its reform on the basis of intensification of information and digital transformation of this sphere. Conclusion. The requirements and directions of modernization of teacher education in the conditions of digital transformation, which are associated with a change in approaches to the training of teachers, to the need for integrative consideration of the functions of pedagogical activity and the digital educational environment are defined.
The study of diffuse light of a night sky is undergoing a renaissance due to the development of inexpensive high performance computers which can significantly reduce the time needed for accurate ...numerical simulations. Apart from targeted field campaigns, numerical modeling appears to be one of the most attractive and powerful approaches for predicting the diffuse light of a night sky. However, computer-aided simulation of night-sky radiances over any territory and under arbitrary conditions is a complex problem that is difficult to solve. This study addresses three concepts for modeling the artificial light propagation through a turbid stratified atmosphere. Specifically, these are two-stream approximation, iterative approach to Radiative Transfer Equation (RTE) and Method of Successive Orders of Scattering (MSOS). The principles of the methods, their strengths and weaknesses are reviewed with respect to their implications for night-light modeling in different environments.
•Three methods for modeling nightsky radiance are reviewed.•The two-stream approximation allows for rapid calculation of radiative fluxes.•The above approach is convenient for modeling large uniformly emitting areas.•SOS is applicable to heterogeneous deployment of well-separated cities or towns.•MSOS is generally CPU less-intensive than traditional 3D RTE.
This article explores major theoretical approaches to the study of European integration, European Union (EU) as a global power, and the EU Common Foreign and Security Policy. The argument presented ...here is that only a combination of both International Relations and European integration approaches will allow us to understand the very premises of the European integration project in terms of both internal and external – international-aspects. This approach will be complementary to the attempts by researchers those who call to mainstream European studies and an appeal in favor of abounding the project of conceptualizing the EU as a single case or as being Sui generis. This article argues that, despite serious attempts by scholars of the field of European studies, it seems difficult to theorize European integration. The established literature to the existing political entities seems less relevant to study EU due to the union’s unique identity. Theories of EU integration are unable to explain or predict the process of integration, but they are normally outpaced by events.
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