Permanent Interactions Research Articles

Adsorption, Kinetic and Thermodynamic Studies for the Adsorption of Cadmium onto Combination of Chitosan and Coffee Ground Activated Carbon

The presence of cadmium in water due to its natural mobility can cause the nature of the water to become toxic and threaten the surrounding ecosystem when it accumulates in the food chain. The aim of this study was to investigate the maximum adsorption capacity using an isothermal model, to determine the rate of adsorption kinetics using chitosan and coffee powder adsorbents in reducing cadmium concentrations in industrial wastewater, and to investigate its thermodynamic magnitude. The research method was applied with laboratory experiments followed by quantitative data analysis to determine the isothermal model and adsorption kinetics. The results showed that the adsorption isotherm follows the Langmuir isotherm model with a correlation coefficient of 0.9970 and a maximum adsorption capacity of 0.7546 mg.g-1, which indicates that the chemical adsorption occurs in a monolayer, where the adsorption sites are homogeneously distributed with the adsorption energy. Permanent and negligible interactions between cadmium molecules (adsorbate) and adsorbent. Thus the pseudo second order kinetic model is a better way to explain the reaction rate for cadmium in combination chitosan and coffee ground activated carbon. Negative ΔGo values indicate that the adsorption reaction takes place spontaneously, ΔHo of 0.3467 indicates an endothermic reaction, and ΔSo of 3.5296 indicates an increase in the randomness of the adsorption process at the adsorbent interface and cadmium during adsorption.

Relative cooperativity in neutral and charged molecular clusters using QM/MM calculations.

QM/MM methods have been used to study electronic structure properties and chemical reactivity in complex molecular systems where direct electronic structure calculations are not feasible. In our previous work, we showed that non-polarizable force fields, by design, describe intermolecular interactions through pairwise interactions, overlooking many-body interactions involving three or more particles. In contrast, polarizable force fields account partially for many-body effects through polarization, but still handle van der Waals and permanent electrostatic interactions pairwise. We showed that despite those limitations, polarizable and non-polarizable force fields can reproduce relative cooperativity achieved using density functional theory due to error compensation mechanisms. In this contribution, we assess the performance of QM/MM methods in reproducing these phenomena. Our study highlights the significance of the QM region size and force field choice in QM/MM calculations, emphasizing the importance of parameter validation to obtain accurate interaction energy predictions.

Comparative analysis of permanent and transient domain-domain interactions in multi-domain proteins.

Protein domains are structural, functional, and evolutionary units. These domains bring out the diversity of functionality by means of interactions with other co-existing domains and provide stability. Hence, it is important to study intra-protein inter-domain interactions from the perspective of types of interactions. Domains within a chain could interact over short timeframes or permanently, rather like protein-protein interactions (PPIs). However, no systematic study has been carried out between two classes, namely permanent and transient domain-domain interactions. In this work, we studied 263 two-domain proteins, belonging to either of these classes and their interfaces on the basis of several factors, such as interface area and details of interactions (number, strength, and types of interactions). We also characterized them based on residue conservation at the interface, correlation of residue motions across domains, its involvement in repeat formation, and their involvement in particular molecular processes. Finally, we could analyze the interactions arising from domains in two-domain monomeric proteins, and we observed significant differences between these two classes of domain interactions and a few similarities. This study will help to obtain a better understanding of structure-function and folding principles of multi-domain proteins.

Fear of Missing Out, Reflective Smartphone Disengagement, and Loneliness in Late Adolescents.

Reflective smartphone disengagement (i.e., deliberate actions to self-regulate when and how one should use one's smartphone) has become a necessary skill in our ever-connected lives, contributing to a healthy balance of related benefits and harms. However, disengaging from one's smartphone might compete with impulsive psychosocial motivators such as fear of missing out (FoMO) on others' rewarding experiences or feelings of loneliness. To shed light into these competitive processes, the present paper disentangles the reciprocal, over-time relationships between reflective smartphone disengagement, FoMO, and loneliness using data from a two-wave panel study among emerging adults (16-21 years of age). Measurement-invariant structural equation modeling suggests that FoMO and reflective smartphone disengagement negatively predict each other over time, indicating a possible spiraling process. In addition, reflective smartphone disengagement was also negatively related to feelings of loneliness. Together, these findings underline (a) how young people's impulsive and reflective system compete with each other over control of their smartphone usage, where (b) psychosocial benefits of reflective smartphone disengagement were validated among emerging adults, potentially helping them to strengthen the benefits and limit the harms of permanent interactions with and through technology.

Prediction of transient and permanent protein interactions using AI methods.

Protein-protein interactions (PPIs) can be classified as permanent or transient interactions based on their stability or lifetime. Understanding the precise details of such protein interactions will pave the way for the discovery of inhibitors and for understanding the nature and function of PPIs. In the present work, 43 relevant physicochemical, geometrical and structural features were calculated for a curated dataset from the literature, comprising of 402 protein-protein complexes of permanent and transient categories, and 5 different Supervised Machine Learning models were developed with Scikit-learn to predict transient and permanent PPI. Additionally, deep learning method with Artificial Neural Network was also performed using Tensor Flow and Keras. Predicted models achieved accuracy ranging from 76.54% to 82.71% and k-NN has achieved the highest accuracy. Detailed analysis of these methods revealed that Interface areas such as Percent interface accessible area, Interface accessible area and Total interface area and the parameters defining the shape of the PPI interface such as Planarity, Eccentricity and Circularity are the most discriminating factors between these two categories. The present method could serve as an effective tool to understand the mechanism of protein association and to predict the transient and permanent interactions, which could supplement the costly and time-consuming experimental techniques.

The Multiculturalism of a Traditional Economic Region – the Example of the Katowice Conurbation (Poland)

The Katowice conurbation took shape from the end of the 18th century in the borderlands of two states, Poland and Germany. In this sense, it was an area on both their peripheries. Permanent and dynamic interactions between different national-ethnic groups resulted in cultural intermingling. From the middle of the twentieth century, this complex settlement system was already at the centre of socio-economic development on a supra-regional scale. As a result of multidirectional migration, influenced by intensive industrialisation, social relations evolved between the migrants and the local (indigenous) population, as well as between the migrants themselves. The aim of this paper is to analyse the early multicultural nature of selected cities in the Katowice conurbation against a methodological and terminological background and to indicate the extent to which this feature might be an asset in present day socio-economic transformations in this area. The temporal and spatial overlapping of various origins of socio-cultural links and relations leads the authors to formulate the concepts of cultural genotype and primary and secondary cultural genotype, and to exemplify the formation of cultural genotypes in the Katowice conurbation.

Experimental Detection of Nonlinear Dynamics Using a Laser Profilometer

This paper investigates a cantilever beam nonlinear dynamic behaviour, on which the nonlinearity is introduced with permanent magnet interactions or with a non-holonomic contact. The experimental time domain responses obtained from non-zero initial conditions are measured using a laser profilometer, conventionally adopted for product shape detections in online industrial applications. The Fourier transform, Continuous Wavelet transform, and Hilbert transform are used to investigate nonlinear phenomena in the frequency content, highlighting advantages and drawbacks of the three methods in catching instantaneous phenomena. Then, a Multi-Phi approach is proposed to describe the time evolution of nonlinear systems by means of a discrete number of linearised systems. Therefore, two linearised models have been developed and tuned to describe the dynamic behaviour of different Euler–Bernoulli cantilever beam configurations. The experimental data of nonlinear systems are compared with the corresponding ones of the linear system to evaluate the effects of introduced nonlinearities on the overall dynamic properties.

A Socially Constructed Individualist: An Interactionist Study of Role-Making among Orchestral Conductors

The paper analyzes the role-making of an orchestral conductor. It is framed by the symbolic interactionist perspective and focuses on Ralph Turner’s role-making theory and the works of Alfred Schütz and Howard S. Becker and associates. The research project is based on grounded theory methodology. The applied techniques include semi-structured interviews, video-elicited interviews, observations of teaching conducting and opera rehearsals, video analysis, and secondary data analysis. The results reveal how the process of role-making is shaped during secondary socialization and indicate the social features of the role, such as high social prestige, awareness of the body, an exclusive social group, and teamwork. The role-making process is based on permanent interactions and negotiations with social actors: the composer and the musical score, the orchestra, soloists, ballet, and the audience. Additionally, it is influenced by cultural factors, such as the conductor’s gender, age, nationality and international experience, competencies, as well as the type of professional contract. At the same time, conductors need to actively maintain the image of determined and resolute individualists, as expected by the social actors they interact with.

Large-scale prediction of key dynamic interacting proteins in multiple cancers

Tracking cancer dynamic protein-protein interactions (PPIs) and deciphering their pathogenesis remain a challenge. We presented a dynamic PPIs' hypothesis: permanent and transient interactions might achieve dynamic switchings from normal cells to malignancy, which could cause maintenance functions to be interrupted and transient functions to be sustained. Based on the hypothesis, we first predicted >1400 key cancer genes (KCG) by applying PPI-express we proposed to 18 cancer gene expression datasets. We then further screened out key dynamic interactions (KDI) of cancer based on KCG and transient and permanent interactions under both conditions. Two prominent functional characteristics, “Cell cycle-related” and “Immune-related”, were presented for KCG, suggesting that these might be their general characteristics. We found that, compared to permanent to transient KDI pairs (P2T) in the network, transient to permanent (T2P) have significantly higher edge betweenness (EB), and P2T pairs tending to locate intra-functional modules may play roles in maintaining normal biological functions, while T2P KDI pairs tending to locate inter-modules may play roles in biological signal transduction. It was consistent with our hypothesis. Also, we analyzed network characteristics of KDI pairs and their functions. Our findings of KDI may serve to understand and explain a few hallmarks of cancer.

Transcription factors – key regulatory biomolecules determining the differentiation of mesenchimal stem cells into the somatic cells of organs and tissues

Тhe mechanisms of differentiation of mesenchimal stem cells into the somatic cells of organs and tissues underlying embryogenesis and natural reparation processes and providing the structural and functional homeostasis of cells are considered. The data on adipogenic, osteogenic, chondrogenic, miogenic, and endothelial differentiations are given, which results in the formation of the cells of mesodermal origin in organism. The problem is discussed, how the transcription factors control each type of differentiation and participatе in them using various regulatory biomolecules, transcription factors, cytokines, and chimokins being in complicate permanent interactions and forming the integrity regulatory network. The participation in differentiation processes of a number of transcription factors (Runx2, Sox9, PPARγ, MyoD, GATA4 и GATA6) is discussed, the expression of which is under a permanent chemical control within the cellular regulatory network.

Are transient protein-protein interactions more dispensable?

Protein-protein interactions (PPIs) are key drivers of cell function and evolution. While it is widely assumed that most permanent PPIs are important for cellular function, it remains unclear whether transient PPIs are equally important. Here, we estimate and compare dispensable content among transient PPIs and permanent PPIs in human. Starting with a human reference interactome mapped by experiments, we construct a human structural interactome by building three-dimensional structural models for PPIs, and then distinguish transient PPIs from permanent PPIs using several structural and biophysical properties. We map common mutations from healthy individuals and disease-causing mutations onto the structural interactome, and perform structure-based calculations of the probabilities for common mutations (assumed to be neutral) and disease mutations (assumed to be mildly deleterious) to disrupt transient PPIs and permanent PPIs. Using Bayes' theorem we estimate that a similarly small fraction (<~20%) of both transient and permanent PPIs are completely dispensable, i.e., effectively neutral upon disruption. Hence, transient and permanent interactions are subject to similarly strong selective constraints in the human interactome.

In English

Wettability is of pivotal importance in many areas of science and technology, ranging from the extractive industry to development of advanced functional materials and biomedicine problems. An increasing interest to wetting-related phenomena stimulates impetuous growth of research activity in this field. The presented review is aimed at the cumulative coverage of issues related to wettability and its investigation. It outlines basic concepts of wetting as a physical phenomenon, methods for its characterisation (with the emphasis on sessile drop techniques), and performances of contemporary instrumentation for wettability measurements. In the first section, physics of wettability is considered. The intermolecular interactions related to wetting are classified as dependent on their nature. Thus, discussion of interactions involving polar molecules covers permanent dipole - permanent dipole interactions and freely rotating permanent dipoles. Consideration of interactions resulting from the polarization of molecules includes interactions between ions and uncharged molecules, Debye interactions, and London dispersion interactions. Hydrogen bonds are discussed separately. The second section deals with the issues related to surface tension and its effect on shaping the surface of a liquid brought in contact with a solid body. The relationship between the surface tension and the contact angle as well as equations that quantify this relationship are discussed. The Young–Laplace equation governing the shape of the drop resting on the surface is analysed. The third section is devoted to the experimental characterization of surface wettability and the underlying theoretical analysis. Particular attention is paid to the method known as the Axisymmetric Drop Shape Analysis (ADSA). Principles of automated determination of relevant physical values from experimental data are briefly discussed. Basics of numerical techniques intended for analysing the digitized image of the drop and extracting information on surface tension and contact angle are outlined. In the fourth section, an overview of commercially available instrumentation for studying wettability and the contact angle measurements is presented. The prototype contact angle analyser designed and manufactured at the ISP NASU is introduced.

Nicolas Bernstein and Pyotr Anokhin: pioneers of modern psychophysiology.

The works of N.A. Bernstein on the construction of daily life movements in humans and those of P.K. Anokhin on the integrative nature of the nervous system in animals led to new descriptions of the brain functioning and behaviour, which contributed to the development of neuropsychology by A.R. Luria. Their work, which was considered as conflicting with Pavlov's reflex theory, which was sanctioned by the Soviet authorities, were for a long time disregarded in the USSR, and were unrecognised in the West due to the lack of English translations which were only produced much later. Bernstein described activity as being directed toward the resolution of a specific motor problem, programmed and guided by a copy of the desired solution constructed by the brain (a model of the future), and implemented and regulated according to the probability theory through sensory corrections carried out at different levels in the brain. Anokhin's systemic theory of brain functioning was defined by a complex integrative process with adaptive value, carried out by a system of permanent interactions between a cortical centre and the peripheric motor apparatus, regulated by reverse afferences from the periphery. These descriptions appear to be close to modern conceptions of brain functioning and continue to be of interest in the study of the relationships between psychic activity and brain function.

ECONOMIC AND LEGAL MECHANISMS OF REGULATION OF FOREIGN ECONOMIC ACTIVITY OF SERVICE ENTERPRISES

The study found that an important part of the organization of the system of international relations of enterprises in the field of services is the creation of organiza-tional and economic support mechanism. An important task in the period of deepening globalization is to develop an effective economic and legal mechanism aimed at leveling the problems associated with increasing all types of resources to ensure foreign economic activity of enterprises in the service sector. The approaches of foreign economic activity through the prism of economic functions of the enterprise concerning cooperation with foreign partners in foreign markets are considered. It is established that an important part of the organization of the system of international relations of enterprises in the field of services is the creation of organizational and economic mechanism to ensure foreign trade. This mechanism operates in the context of integration processes as a factor in the effective operation and competitiveness of service enterprises in international markets. Therefore, service enterprises should be considered as a social, legal and economic sys-tem of the micro level with its internal components, which have both permanent and peri-odic external links and interactions. The structure of the organizational and economic mechanism of foreign economic activity of the enterprise is characterized and the aggre-gate structural elements of the organizational and economic mechanism of the enterprise-subject of foreign economic activity are formed, providing its internal and external envi-ronment, which is never stable foreign economic activity. Analyzing the structure of the mechanism of regulation of foreign economic activity and economic activity in general, shows that the urgent need at the present stage of economic development is to create an optimally balanced system of regulation, which will effecttively combine economic,or-ganizational, legal and socio-psychological forms, methods, means of regulation. Keywords: foreign economic activity (FEA), enterprises-subjects of foreign eco-nomic activity, mechanism of legal regulation, economic mechanism, state regulation. DEVELOPMENT

Nicolas Bernstein and Pyotr Anokhin. Pioneers of modern psychophysiology

The works of N.A.Bernstein on the construction of daily life movements in man and those of P.K.Anokhin on the integrative character of the nervous system in animal led to new descriptions of the brain functioning and behavior, which contributed to the development of neuropsychology by A.R.Luria. Their works, considered as conflicting with the Pavlov's reflex theory sanctioned by the Soviet authorities, were for a long time disregarded in URSS, and unrecognized in Occident due to scanty and late English translations. Bernstein described activity as directed toward the resolution of a specific motor problem, programmed and guided by a copy of the desired solution constructed by the brain (a model of the future), and implemented and regulated according to the probability theory by sensory corrections carried out at different levels of the brain organization. Anokhin's systemic theory of the brain functioning was defined by a complex integrative process with adaptive value, carried out by a system of permanent interactions between a cortical center and the peripheric motor apparatus, regulated by reverse afferences from the periphery. These descriptions appear to be close to modern conceptions of brain functioning, and remain of interest in the study of the relationships between psychic activity and brain functioning.

Nuclear mRNA maturation and mRNA export control: from trypanosomes to opisthokonts.

The passage of mRNAs through the nuclear pores into the cytoplasm is essential in all eukaryotes. For regulation, mRNA export is tightly connected to the full machinery of nuclear mRNA processing, starting at transcription. Export competence of pre-mRNAs gradually increases by both transient and permanent interactions with multiple RNA processing and export factors. mRNA export is best understood in opisthokonts, with limited knowledge in plants and protozoa. Here, I review and compare nuclear mRNA processing and export between opisthokonts and Trypanosoma brucei. The parasite has many unusual features in nuclear mRNA processing, such as polycistronic transcription and trans-splicing. It lacks several nuclear complexes and nuclear-pore-associated proteins that in opisthokonts play major roles in mRNA export. As a consequence, trypanosome mRNA export control is not tight and export can even start co-transcriptionally. Whether trypanosomes regulate mRNA export at all, or whether leakage of immature mRNA to the cytoplasm is kept to a low level by a fast kinetics of mRNA processing remains to be investigated. mRNA export had to be present in the last common ancestor of eukaryotes. Trypanosomes are evolutionary very distant from opisthokonts and a comparison helps understanding the evolution of mRNA export.

Parameterization method for non-linear friction models of machine tool feed drives

During machining operations, there are permanent interactions between the digital servo control and the machine structure. In addition to the mass and stiffness properties, different damping effects in the system take influence on the feed drive dynamics. Virtual prototypes of machine tools allow the investigation as well as the characterization of damping in single feed axes. In this paper, the friction mechanisms in the drive train are investigated by using the example of a three-axes milling machine. Dynamic friction models are parameterized and coupled with a mechatronic simulation model of the machine tool. Adequate parameterization of nonlinear friction models further increases the accuracy of the machine tool model in motion simulation.

Stable and Temporary Enzyme Complexes and Metabolons Involved in Energy and Redox Metabolism.

Significance: Alongside well-characterized permanent multimeric enzymes and multienzyme complexes, relatively unstable transient enzyme-enzyme assemblies, including metabolons, provide an important mechanism for the regulation of energy and redox metabolism. Critical Issues: Despite the fact that enzyme-enzyme assemblies have been proposed for many decades and experimentally analyzed for at least 40 years, there are very few pathways for which unequivocal evidence for the presence of metabolite channeling, the most frequently evoked reason for their formation, has been provided. Further, in contrast to the stronger, permanent interactions for which a deep understanding of the subunit interface exists, the mechanism(s) underlying transient enzyme-enzyme interactions remain poorly studied. Recent Advances: The widespread adoption of proteomic and cell biological approaches to characterize protein-protein interaction is defining an ever-increasing number of enzyme-enzyme assemblies as well as enzyme-protein interactions that likely identify factors which stabilize such complexes. Moreover, the use of microfluidic technologies provided compelling support of a role for substrate-specific chemotaxis in complex assemblies. Future Directions: Embracing current and developing technologies should render the delineation of metabolons from other enzyme-enzyme complexes more facile. In parallel, attempts to confirm that the findings reported in microfluidic systems are, indeed, representative of the cellular situation will be critical to understanding the physiological circumstances requiring and evoking dynamic changes in the levels of the various transient enzyme-enzyme assemblies of the cell. Antioxid. Redox Signal. 35, 788-807.

Antibiotics removal using a chitosan-based polyelectrolyte in conjunction with ultrafiltration membranes

The emergence of antibiotics as pollutants in the environment is one of the worldwide concerns because the bacterial strains generate a threat to the aquatic ecosystem and human health. In this study, an alkylated chitosan polyelectrolyte (ChA-PE) was used in conjunction with ultrafiltration membranes to remove three commonly used antibiotics, including amoxicillin (AMX), tetracycline (TET), and ciprofloxacin (CIP), in aqueous systems. The removal study considered diverse experimental variables through two methods: washing (pH, ionic strength, polymer ratio, and antibiotic concentration) and enrichment (maximum retention capacity). The retention percentage reached 80% at a pH of 11.0 at different polymer/antibiotic molar ratios. The ChA-PE presented irreversibly bound antibiotic interaction values of 0.51, 0.74, and 0.92 for CIP, AMX, and TET, respectively, at a pH of 11, showing that the polymer presents stronger permanent interactions with AMX and TET. On the other hand, the ChA-PE presented maximum retention capacity values of 185.6, 420.2, and 632.8 mg g−1 for CIP, AMX, and TET, respectively, in accordance with the association efficiency percentage values of 73.54, 87.08, and 93.83% for CIP, AMX, and TET, respectively.

Strain gradient micromechanical modeling of substrate – supported crystalline microplates subjected to permanent in-plane and out-of-plane tractions

A benchmark study of small size plate structures exposed to permanent environmental interactions is presented. Micromechanically-motivated model is introduced for thin crystalline microplates under in-plane and out-of-plane excitations. Lower-order strain gradient plasticity (SGP) model is developed based on Chen-Wang Hardening law incorporating the influence of effective length scale. Since hardening parameter is a fundamental factor in physical descriptions of material, obtained results demonstrate the effect of length scale on the effective stresses due to in-plane and out-of- plane excitations. While substrate – supported foundation is included, deflection and stress-strain curves are compared as well as the effect of variable tangent module.