Semi-automated workflow for molecular pair analysis and QSAR-assisted transformation space expansion

In the process of drug discovery, the optimization of lead compounds has always been a challenge faced by pharmaceutical chemists. Matched molecular pair analysis (MMPA), a promising tool to efficiently extract and summarize the relationship between structural transformation and property change, is suitable for local structural optimization tasks. Especially, the integration of MMPA with QSAR modeling can further strengthen the utility of MMPA in molecular optimization navigation. In this study, a new semi-automated procedure based on KNIME was developed to support MMPA on both large- and small-scale datasets, including molecular preparation, QSAR model construction, applicability domain evaluation, and MMP calculation and application. Two examples covering regression and classification tasks were provided to gain a better understanding of the importance of MMPA, which has also shown the reliability and utility of this MMPA-by-QSAR pipeline.

Mapping of Re-Assessing Gentrification Process Post-Pandemic COVID-19 in The Old Town Semarang, Indonesia

The revitalization of The Semarang Old Town revived this area as a tourist destination and generated regional economic growth. Several new restaurants, coffee shops, galleries, and other economic activities emerge along with tourism development. Job vacancies were offered and attracted newcomers to work as well as to invest. Consequently, properties that previously had no economic value became a potential asset, increasing land prices and building rental prices significantly. Hence, gentrification becomes an inevitable phenomenon. Local communities previously inhabited vacant buildings for years were displaced because the buildings would be restored and then rented out. However, these situations changed after the COVID-19 pandemic occurred, that many restrictions on community activities, including tourism. Visitors’ numbers decrease drastically, making many businesses in the Old Town suffer losses. It pointed by several coffee shops and restaurants closed, or they did not extend the rents. In contrast, the number of informal sectors which restricted surged in line with many work terminations. Hence, this study aims to re-assess the gentrification process along with the socio-economic changes after the COVID-19 pandemic. This study used a quantitative method by applying the spatial analysis method, which compares aspects such as physical transformation, space use, land prices, rent prices, land ownership, and population growth before and after the COVID-19 pandemic.

STRETCHING LEARNING THROUGH MAPPING ACTIVITIES - THE TRANSFORMATIVE INFLUENCE OF DIALOGUE

A fidgety character and an extremely low self-confidence were glaring circumstances of two learners in a first-year classroom. Mapping activities were designed for interactivity, considering the low aptitude for the English language as the instructional medium. While the fidget transformed into a focused learner upon role-play as a dialogue star in the coordinated classroom talks, the most reserved, diffident learner turned into an expressive participant. The cognitive engagement of the classroom population was evident from the significantly expanded knowledge map constructed by the students. The exploratory nature of classroom oracy drove the outcome within the dialogic space designed to engender the transformation. Space for active participation was mainly enabled by simplifying the verbal expression by extensive use of keywords in mapping. While the approach ruled out the need for correct English usage for expression of ideas, the seed map drawn by the instructor prompted learners to leave their seats to write an idea on the whiteboard. The freewill had links to the oracy that allowed for rewording and change of stance which was the primary ingredient of dialogue embedded in the mapping activities. Grafting of students’ ideas into the existing scientific concept was an essential outcome of dialogue externalised on the constructed map, driven by the dialogic space encouraging listening and thinking along the path of higher logic. The dialogic space in mapping activities and the resultant vibrant classroom of cognitively engaged participants provide evidence for designable classroom activities to uplift the immediate learning impacts.

Space Vector Transients of Three-phase Transformers

This paper is devoted to the transient analysis of three-phase transformers by means of the space vector tool. Space vector definition is based on the Clarke transformation, operating in the time domain. Thus, the space vector is better suited to transient analysis when compared with approximate approaches based on the phasor symmetrical-component transformation. Space-vector equivalent circuits are derived for three-phase transformers with Wye and Delta connections. A case study, consisting in the transient due to a capacitor bank insertion, shows that the proposed space-vector approach can clearly evidence the asymmetrical transient behavior of the phase variables in terms of different peak levels and oscillations amplitude.

Pregnancy, Childbirth and Nursing in Feminist Dystopia: Marianne de Pierres’s Transformation Space (2010)

Marianne de Pierres’s Transformation Space (2010) is a rare example of an Australian novel set in an apocalyptic and dystopic interstellar future where pregnancy, childbearing and nursing have a presence that is quite uncommon in Science Fiction (SF). Despite the fact that the genre of SF and that of space opera in particular have been traditionally quite male-oriented, in the last years feminist theories of several kinds have been an undeniable transformative influence. This article intends to analyse not only how these specifically female issues related to motherhood/mothering are presented in the novel, but also to explore their function and role. A close reading of these topics will show whether they endorse a solid feminist stance or are just colourful feminist details in a male-dominated space opera and, in turn, if they have a specifically narrative purpose in the context of the dystopic subgenre.

Transformation of the Paradigm of the Economic Entities Development in Digital Economy

Global digitization forces modern enterprises to respond to the rapid changes in the external environment and adapt to it. As a result, existing business models are being transformed in the areas of production, promotion, communication, calculations, interaction with partners and consumers. In this context, there is growing scientific interest in exploring theoretical and practical aspects of the economy digitization and its impact on the peculiarities of the economic entities functioning. Features of functioning of classical and digital economic entities on the basis of criterion approach have been investigated, using the following criteria: factors of production, form of business organization, location of workplace, production outcome, economic processes, connection with on-demand economy, methods of payment, relations with other enterprises, professions enhancing the image of the enterprise, communication method between employees, saving and processing of information, company promotion tools and consumer communication. The main statistical indicators of the digitalization impact on the activity of enterprises in the world and in Ukraine in 2018 have been analyzed. The feasibility of using digital economy tools has been outlined. Advantages and disadvantages of the impact of digital transformation space on the enterprise have been identified.