Prediction of Protein pKa with Representation Learning

The behavior of proteins is closely related to the protonation states of the residues. Therefore, prediction and measurement of pKa are essential to understand the basic functions of proteins. In this work, we develop a new empirical scheme for protein pKa prediction that is based on deep representation learning. It combines machine learning with atomic environment vector (AEV) and learned quantum mechanical representation from ANI-2x neural network potential (J. Chem. Theory Comput. 2020, 16, 4192). The scheme requires only the coordinate information of a protein as the input and separately estimates the pKa for all five titratable amino acid types. The accuracy of the approach was analyzed with both cross-validation and an external test set of proteins. Obtained results were compared with the widely used empirical approach PROPKA. The new empirical model provides accuracy with MAEs below 0.5 for all amino acid types. It surpasses the accuracy of PROPKA and performs significantly better than the null model. Our model is also sensitive to the local conformational changes and molecular interactions.

The NIST Cybersecurity Framework

With the increase in cybercrimes over the last few years, a growing realization for the need for cybersecurity has begun to be recognized by the nation. Unfortunately, being aware that cybersecurity is something you need to worry about and knowing what steps to take are two different things entirely. In the United States, the National Institute of Standards and Technology (NIST) developed the Cyber Security Framework (CSF) to assist critical infrastructures in determining what they need in order to secure their computer systems and networks. While aimed at organizations, much of the guidance provided by the CSF, especially the basic functions it identifies, are also valuable for communities attempting to put together a community cybersecurity program.

Solution of system of the Fredholm integral equation of the first kind

The article is devoted to the study of a system of two inhomogeneous Fredholm integral equations of the first kind with two required functions depending on one variable. Integral equations describe the restoration of a blurred image, production costs, etc. Fredholm integral equations with one desired function have been considered in many works, but relatively few works have been devoted to systems of such equations. The questions of stability for the solution of systems and the construction of a regularizing system of equations were investigated, but the solution was not constructed in an explicit form. In this paper, the kernels depend on two variables. The case is considered: in the kernels and inhomogeneities, the variables are separated in the equations; these functions are decomposed on the basis of two functions on the interval of integration. Examples of basic functions are given. A condition is determined under which the system has a unique solution in the chosen basis, formulated as a theorem. The solution is found in the form of an expansion in this basis. To illustrate the results obtained, an example is considered

Stosowanie przepisów o formie czynności prawnych, jako instrument kontroli obrotu prawnego w perspektywie orzecznictwa SN w latach 1964–1989

The regulation of civil law transactions during the Polish People’s Republic took place on many different levels. Among other things, the scope of state control over the performance of legal transactions also involved the obligation to document them. At the normative level, the code institution of the form of legal transactions reflected classical civilist concepts, typical for free-market relations. The aim of the study is to determine to what extent the principle of freedom of form expressed in the Civil Code was respected in practice, and to what extent the application of the rules on form made them another tool at the disposal of the totalitarian state to control transactions. Judicial jurisprudence seems to be the most appropriate area to analyze this problem. The article presents selected theses of the Supreme Court relating to the application of regulations on the form of legal transactions, formulated in the years 1964–1989, that is, from the enactment of the Civil Code to the beginning of the political and economic transformation towards democracy and free-market economy. The main considerations are preceded by a presentation of the code regulation of the form of legal actions with an indication of the basic functions, which — in the intention of the authors of the Civil Code — were ascribed to the form of legal actions. The part of the study devoted to the discussion of the jurisprudence explains, first of all, how the principle of the freedom of form was understood and how the provisions on the special form and the consequences of failing to observe it were applied. The conclusions that emerge from the analysis do not allow us to formulate a thesis about an ideological interpretation by the Supreme Court. In particular, it cannot be confirmed that the use of provisions on form testified to their instrumentalization. This leads us to reflect that the political conditions of the communist period did not preclude the Supreme Court from interpreting the law in a fully autonomous manner. For this reason, much of the case law from that period is still relevant.

TEXT-CREATIONAL FUNCTIONS OF TOPONYMS ІN THE MODERN LITERARY DISCOURSE (BASED ON THE NOVEL BY SOPHIA ANDRUKHOVYCH «AMADOKA»)

The need to develop a holistic linguistic vision of the functionality of toponyms in the literary discourse dictates the study of these units on the basis of broad artistic materials texts of different genres. The article is devoted to characteristics of toponyms, noted in the novel of Sophia Andrukhovych «Amadoka». The study has revealed that modern fiction manifests an abundant toponym system. The system of toponyms in the novel «Amadoka» is formed by horonyms, oykonyms, urbanonyms, hydronyms, oronyms, and so on. The toponyms carry out the following basic functions: nominative-localized, ideological, and symbolic. First, toponyms in a text actualize their toponymic meaning, structuring a text space. However, toponyms often become ideological-conceptual elements that gain a dominant role in the implementation of the author’s intention, function in the text as symbols, which enables the output of functions of this proper name beyond the limits of the traditional nominative-localization one. They become the means of the indirect features of characters of the novel that are one of the elements of text formation.

Museums as a Tourist Resource: Cultural and Educational Projects in the Modern Cultural Space of a Tourist Destination

The paper highlights and analyzes the world and domestic experience in the implementation of cultural and educational museum projects in the modern cultural space of tourist destinations. The introduction of cultural and educational projects based on museum activities contributes to the profits of museums and meet the needs of society in the pursuit of knowledge. Also, the cultural and educational project improves the basic functions of museums (educational and upbringing), strengthens the resonance through the mass promotion of museum activities. Common cultural museum projects include scientific and educational museum conferences, International Museum Day, Museum Night, thematic intercultural festivals, biennials, etc. It has been proved that in recent decades various cultural museum projects have become widespread, which radically change the cultural space of a tourist destination. An example is a successful project of placing museums in abandoned industrial buildings, which gives impetus to the development not only of the museum, but also the area itself, sometimes depressed. The article considers examples of such projects in the world and Ukraine. For many museum institutions, the COVID-19 pandemic and its implications for the cultural sphere as a whole is a challenge that needs to be used to rethink its activities, to introduce new methods of communication with potential museum visitors.

Investigation of Teacher Support and Teacher Training During the COVID-19 Pandemic: Tools and Skills Moving the Classroom Forward

Teaching remotely from home is now compulsory for lecturers as schools across the globe have closed due to the COVID-19 pandemic. A marriage of technology and teacher training is required to help educators deliver lessons effectively online. This research aimed to 1) investigate the type of technological support teachers need to teach online during and after the COVID-19 pandemic; 2) identify the type of teacher training needed during and after the pandemic; and 3) assess teachers’ satisfaction towards their training in relation to their needs. This study utilized a mixed methods research design and included a sample of 59 teachers studying for a Master’s degree in Curriculum and Instruction, majoring in English language at an open university in Thailand. Data were analyzed using the Statistical Package for the Social Sciences (SPSS) to compute means and standard deviations. In addition, qualitative data derived from a questionnaire were analyzed using typological analysis. The research findings showed: 1) the “fundamental technologies” teachers need for online teaching include computers or other computing devices, a reliable and stable-as-possible internet connection, a microphone, and a headset and camera; and 2) the task of implementing engaging lessons online and supporting students to use ICTs for projects or class work placed particular training demands on teachers. Specifically, they required: (1) training to build knowledge of the basic functions for undertaking virtual teaching and learning; (2) access to meaningful and relevant content to create lessons for students, and (3) online worksheets and projects for students.   

West Meets East in a New Two-Polarities Model of Personality: Combining Self-Relatedness Structure With Independent-Interdependent Functions

Self and relatedness are the two most essential dimensions of personality, as indicated in many personality theories, and have been supported by numerous empirical studies conducted in the western (individualistic) and eastern (collectivist) contexts. However, because of a confusion or failure to distinguish the structure and function of personality, popular theories (e.g., the Big Five model) do not make logic distinctions between these two basic personality dimensions. In terms of the cultural-relevant feature, both self and relatedness and their specific aspects may be variously highlighted in different cultural settings. On the basis of a re-examination of several crucial two-dimension (namely, self and relatedness) personality theories derived from the east and west, we reconstruct a new two polarities personality model to include not only self and relatedness but also the independent and interdependent functions in terms of some popular personality theories from western and eastern cultures. Theoretically and empirically, self and relatedness should be the basic structures of personality, whereas independence and interdependence should be the basic functions of personality. Self and relatedness have independent and interdependent functions; however, due to the cultural relevance of personality, the functions should be variously emphasized in different contexts. Several possible future research directions are discussed.