DATABASE ENRICHMENTS OF MAO-B THROUGH ENSEMBLE DOCKING

Objective: The recent growth of highly resoluted crystallographic structures, together with the continuous improvements of the computing power, has established molecular docking as a leading drug design technique. However, the problems concerning the receptor flexibility and the lowered ability of docking software to correctly score the occurred interactions in some receptors are still relevant. Methods: Recently, several research groups have reported an enhancement in enrichment values when ensemble docking has been applied. Therefore, we utilized the latest technique for a dataset of Monoamine Oxidase–B (MAO-B) inhibitors. The docking program GOLD 5.3 was used in our study. Several docking parameters (grid space, scoring functions and ligand flexibility) were altered in order to achieve the optimal docking protocol. Results: The results of 200 000+docking simulations are represented in a modest table. The ensembled simulations demonstrated low ability of the docking software to correctly score the actives seeded in the dataset. However, the superimposed complex-1S3B-1OJA-1OJC, achieved a moderate enrichment value equaled to 9. No significant improvements were noted when five complexed receptors were employed. Conclusion: As a conclusion, it should be noted that in some cases the ensemble docking enhanced the database enrichments, however overall the value is not suitable for future virtual screening. Further investigations in that area should be considered

Gingival enlargements. A review

Gingival enlargements present an abnormal overgrowth of soft gingival tissues covering the alveolar projections of both jaws. Usually they are asymptomatic and have chronic progression. They occur as a result of a plaque-induced or non-plaque-induced process. In some cases, genetic susceptibility is observed. Gingival hyperplasia can lead to discomfort, pain, functional disorders such as some difficulties in speech, in the chewing process, aesthetic and psychological problems. There are some characteristic clinical symptoms such as: erythema, edema, changes in the gingival texture, bleeding on probing, inflammatory infiltrate, and lateral proliferation of the junctional epithelium.This article aims to provide a literary review of the different types of gingival overgrowths and highlights the basic etiopathogenetic factors and clinical findings that will assist clinicians in differentiating these conditions

Comparative analysis of the awareness of students from the X-ray technician and Dental technician programs on issues related to the specifics of the work and the professional risk

Всеки човек в един момент от своя живот трябва да направи своя избор за това каква ще е неговата професия. За да бъде мотивиран изборът му, той трябва да е информиран и да познава естеството на работата, с която ще се заеме. Студентите от специалностите „Рентгенов лаборант` и „Зъботехник` попадат в специфична работна среда. Тези професии изискват определени професионални качества и компетент-ност от упражняващите я. Целта е да се проучи информираността на новоприетите студенти относно начина на избор на професия, спецификата на работата и имат ли представа за наличието на професионални вредности. Използвани са документален, социологически и статистически метод. Проведена е собствена анонимна анкета сред новопостъпили студенти в специалностите „Рентгенов лаборант` и „Зъботехник` на Медицински колеж „Й. Филаретова` - София. Проучването показа, че резултатите от отговорите на респондентите от двете сравнявани групи са близки като количествени показатели. Наблюдава се съществено различие при отговорите относно информираността по повод спецификата на работа, където 83% от рент-геновите лаборанти отговарят положително, a само 34% от зъботехниците дават отговор „да`. На базата на сравнителния анализ на получените резултати са направени изводи. И от двете изследвани групи по-голяма част е направила самостоятелен избор на професията си; информация за професията са получили от семейството и приятелите си; водеща мотивация за избор на професията е възможността за професионална реализация. По-голяма част от изследваните твърдят, че са запознати с професионалните вредности, но се установява, че малко са анкетираните, които ги изброяват вярно. За да се промени това, е необходимо да има по-пълна и достъпна информация на сайта на висшето училище.Everyone should make his or her own choice about what their profession will be at some point in life. To motivate this choice, he or she should be informed about the nature of that profession. The students from the X-ray Technician and Dental Technician programs enter a specific working environment. Each of these professions requires certain professional qualities and competences from the practitioners. The aim of this paper is to study the information that new students have about how to choose a profession, the specifics of the job and whether there is professional risk. Documentary, sociological and statistical methods have been used. An anonymous poll among the new students in the the X-ray Technician and Dental Technician programs at Medical College „J. Filaretova` - Sofia was conducted. The study showed that the results obtained from responses by students from both compared groups were similar as quantitative indicators. There is a significant difference in the responses due to the specifics of the work. Of all participants, 83% X-ray Technicians and only 34% of Dental Technicians responded positively. Based on the comparative analysis of the results obtained, conclusions were drawn. The vast majority of both groups have made an independent choice of profession, information concerning the profession has been received from family and friends, the leading motivation for choosing the profession was the possibility of professional realization. The majori ty of those surveyed said that they are aware of the professional risk, but there were only a few respondents who could list them correctly. In order to change this, it is necessary to share more complete and accessible in-formation on the site of the Medical College

バーチャルリアリティにおける心的外傷後ストレス障害治療の哲学的考察 : バーチャルリアリティコンテキストにおけるトラウマと自己語りの形成

学位の種別: 課程博士審査委員会委員 : （主査）東京大学教授 信原 幸弘, 東京大学教授 橋本 毅彦, 東京大学教授 廣野 喜幸, 東京大学准教授 石原 孝二, 東京大学教授 丹野 義彦University of Tokyo(東京大学

INDCOR white paper 3: Interactive Digital Narratives and Interaction

The nature of interaction within Interactive Digital Narrative (IDN) is inherently complex. This is due, in part, to the wide range of potential interaction modes through which IDNs can be conceptualised, produced and deployed and the complex dynamics this might entail. The purpose of this whitepaper is to provide IDN practitioners with the essential knowledge on the nature of interaction in IDNs and allow them to make informed design decisions that lead to the incorporation of complexity thinking throughout the design pipeline, the implementation of the work, and the ways its audience perceives it. This white paper is concerned with the complexities of authoring, delivering and processing dynamic interactive contents from the perspectives of both creators and audiences. This white paper is part of a series of publications by the INDCOR COST Action 18230 (Interactive Narrative Design for Complexity Representations), which all clarify how IDNs representing complexity can be understood and applied (INDCOR WP 0 - 5, 2023).Comment: 17 pages, 1 figur

Trauma and Self-Narrative in Virtual Reality: Toward Recreating a Healthier Mind

This study discusses the concept of virtual selves created in the virtual spaces [e.g. social network services or virtual reality (VR)]. It analyzes the activities in the different virtual spaces and claims that experience gained there can be transferred to real life. In respect to that, the effects of the VR treatment on the self as well as the concept of creating a life story are analyzed as interconnected. The research question which arises from these considerations is how to look at psychological trauma in order to explain the effectiveness of the usage of VR for treatment of traumatic disorders. The proposal in the study is to see trauma as a shift in the normal storyline of the narrative people create. With this concept in mind, it might be possible to support the claim that reliving traumatic events, regaining control over one’s life narrative, and creating new stories in the VR aids the treatment process in the search for meaning and resolution in life events. Considering the findings of researchers who argue in the field of self-narrative and traumatic treatment, as well as researchers on virtual selves, virtual spaces and VR, this study discusses the virtual as a possible medium to experience narratives and utilize those narratives as better explanatory stories to facilitate the therapeutic process of recovery and self-recreation. This study supports the idea that VR can be used to visualize patients’ narratives and help them perceive themselves as active authors of their life’s story by retelling traumatic episodes with additional explanation. This experience in the VR is utilized to form healthier narratives and coping techniques for robust therapeutic results that are transferred to real life

Revitalization of the “bagni” in Trieste - Redevelopment of the breakwater in Porto Vecchio

Abweichender Titel nach Übersetzung der Verfasserin/des VerfassersDas alte Hafenareal „Porto Vecchio“ entstand im 19 Jh. und spielte in der Zeit eine bedeutsame Rolle für die damalige Industrie sowie Ökonomie. Es liegt im Herzen der Stadt Triest, am adriatischen Ufer, geschützt von dem Wellenbrecher. Wegen der prominenten Lage, sowie dem Architekturerbe gibt es seit längerem das Bestreben der Stadt Triest das alte Hafenareal wiederzubeleben.In „der Zeit des Porto Vecchio“ sind auch sog. „bagni“ entstanden, in welchen die Triestiner die Zeit nach der Arbeit verbringen konnten. Triest hatte eine der ersten Bauten dieser Typologie, die nur im Sommer genutzt waren. Die Entfernung von der Stadt macht die „bagni“ zu romantischen Orte der Entspannung, deren Hauptfunktion das geschützte Schwimmen im adriatischen Meer war.Inspiriert von dieser Typologie und der zentralen Lage der Wellenbrecher, entsteht die Idee diese Typologie umzuinterpretieren und die Wellenbrecher neuzugestalten. Diese Neugestaltung bestehend aus einem Bad, einem Hotel und eine urbane Strandstruktur ergänzt mit einer Eventhalle und kleinem Museum, welche sich in den Bestandsgebäuden befindet, funktioniert in einem Großmaßstab. Dieses neue Bauensemble bringt den Triester die Freizeit ans Meer zurück, gleichzeitig schafft es ein attraktives Angebot für die Touristen.The old port area “Porto Vecchio” was built in the 19th century and at that time played an important role for the industrial and economic sectors. It is located in the heart of the city of Trieste, on the Adriatic shore, protected by the breakwater. Because of the prominent location and the architectural heritage, the city of Trieste has been trying to revive the old port area for a long time now.During the “Porto Vecchio period”, so-called “bagni” were created, in which Triestine could spend their free time after work. Trieste had one of the first buildings of this typology, that were used only in the summer. The distance from the city makes the “bagni” romantic places of relaxation, whose main function was protected swimming in the Adriatic Sea.Inspired by this typology and the central location of the breakwater, the idea to reinterpret and redesign the breakwater came up. This new design works on a large-scale and consists of a new bath, a hotel and an urban beach structure supplemented with an event hall and a small museum, which are located in the existing buildings on the breakwater. The new building ensemble brings the Triestine their free time back to the sea, and at the same time creates an attractive tourist location.13

Suitable Docking Protocol for the Design of Novel Coumarin Derivatives with Selective MAO-B Effects

Recently, the application of molecular docking is drastically increasing due to the rapid growth of resolved crystallographic receptors with co-crystallized ligands. However, the inability of docking softwares to correctly score the occurred interactions between ligands and receptors is still a relevant issue. This study examined the Pearson’s correlation coefficient between the experimental monoamine oxidase-B (MAO-B) inhibitory activity of 44 novel coumarins and the obtained GOLD 5.3 docking scores. Subsequently, optimization of the docking protocol was carried out to achieve the best possible pairwise correlation. Numerous modifications in the docking settings such as alteration in the scoring functions, size of the grid space, presence of active waters, and side-chain flexibility were conducted. Furthermore, ensemble docking simulations into two superimposed complexes were performed. The model was validated with a test set. A significant Pearson’s correlation coefficient of 0.8217 was obtained for the latter. In the final stage of our work, we observed the major interactions between the top-scored ligands and the active site of 1S3B

Redesign Me: Virtual Reality Experience of the Line of Life and Its Connection to a Healthier Self

Virtual Reality is used in various ways for creating a storytelling experience. It gives us the opportunity to imagine one’s life events as a story, and in settings that are intended to aid the self, such as treatment of trauma, anxiety, phobia, etc. This paper discusses the ways that challenging experiences change the way people perceive their life narratives and form their memories. This paper suggests that virtual reality (VR) can be used for the exploration of alternative scenarios in order to see one’s overall line of life in a new and healthier way. Considering the theoretical background of the narrative self, this research proposes a novel view of VR immersion as a medium for constructing a new storyline and attitude to the past. The approach would also influence attitudes regarding the present and future, and thus better shape the narrative of the self, which can lead to healthier life experiences