scholarly journals Computational tools for drawing, building and displaying carbohydrates: a visual guide

2020 ◽  
Vol 16 ◽  
pp. 2448-2468
Author(s):  
Kanhaya Lal ◽  
Rafael Bermeo ◽  
Serge Perez

Drawing and visualisation of molecular structures are some of the most common tasks carried out in structural glycobiology, typically using various software. In this perspective article, we outline developments in the computational tools for the sketching, visualisation and modelling of glycans. The article also provides details on the standard representation of glycans, and glycoconjugates, which helps the communication of structure details within the scientific community. We highlight the comparative analysis of the available tools which could help researchers to perform various tasks related to structure representation and model building of glycans. These tools can be useful for glycobiologists or any researcher looking for a ready to use, simple program for the sketching or building of glycans.

2016 ◽  
Author(s):  
Lynn Zentner ◽  
Gerhard Klimeck

Established in 2002, nanoHUB.org continues to attract a large community of users for computational tools and learning materials related to nanotechnology [1, 2]. Over the last 12 months, nanoHUB has engaged over 1.4 million visitors and 13,000 simulation users with over 5,000 items of content, making it a premier example of an established science gateway. The nanoHUB team tracks references to nanoHUB in the scientific literature and have found nearly 1,600 vetted citations to nanoHUB, with over 19,000 secondary citations to the primary papers, supporting the concept that nanoHUB enables quality research. nanoHUB is also used extensively for both informal and formal education [3,4], with automatic algorithms detecting use in 1,501 classrooms reaching nearly 30,000 students. During 14 years of operation, the nanoHUB team has had an opportunity to study the behaviors of its user base, evaluate mechanisms for success, and learn when and how to make adjustments to better serve the community and stakeholders. We have developed a set of success criteria for a science gateway such as nanoHUB, for attracting and growing an active community of users. Outstanding science content is necessary and that content must continue to expand or the gateway and community will grow stagnant. A large challenge is to incentivize a community to not only use the site, but more importantly, to contribute [5,6]. There is often a recruitment and conversion process that involves, first, attracting users, giving them reason to stay, use, and share increasingly complex content, and then go on to become content authors themselves. This process requires a good understanding of the user community and its needs as well as an active outreach program, led by a user-oriented content steward with a technical background sufficient to understand the work and needs of the community. A reliable infrastructure is a critical key to maintaining an active, participatory community. Using underlying HUBzero® technology, nanoHUB is able to leverage infrastructure developments from across a wide variety of hubs, and by utilizing platform support from the HUBzero team, access development and operational expertise from a team of 25 professionals that one scientific project would be hard-pressed to support on its own. nanoHUB has found that open assessment and presentation of stats and impact metrics not only inform development and outreach activities but also incentivize users and provide transparency to the scientific community at large.


Kavkaz-forum ◽  
2021 ◽  
pp. 79-89
Author(s):  
С.Г. Кцоева

Статья посвящена сравнительному анализу исследовательской концепции происхождения и сущности божества осетинского пантеона Сафы, принадлежащей одному из ведущих осетиноведов Тамерлану Александровичу Гуриеву. Концепция представлена в статье «Геродотова Гестия/Табити и Сафа в осетинской нартиаде» [1]. Сложность, «многослойность» исследуемого объекта по сей день сохраняет дискуссию в научном сообществе. До сих пор не существует однозначного ответа по поводу истоков появления Сафы, его подлинной сущности, образа и характера, этимологии имени. Мы ставим своей целью рассмотреть еще один вариант объяснения ономастики и сакральных функций Сафы, представленных в концепции авторитетного ученого-лингвиста Тамерлана Александровича Гуриева, подвергнуть ее научному анализу и определить степень ее интегрированности в современное осетиноведение. Новизна исследования заключается в предпринятом перекрестном анализе двух разных концепций Сафы – Т.А. Гуриева и Б.А. Алборова, – что позволило обнаружить ряд сходных выводов, к которым оба ученых в разное время пришли совершенно самостоятельно, чем, в свою очередь, косвенно подтверждается их объективность. Существенная разница точек зрения (Б.А. Алборов считал Сафу производным от протоиудейского бога Саваофа, а Т.А. Гуриев – скифской богини Табити) не помешала ученым прийти к общим выводам. К наиболее существенным сходным чертам обеих концепций можно отнести вывод о солярности Сафы (правда, по-разному трактуемой) и о том, что божество на самом деле является результатом маскулинизации. The article is devoted to a comparative analysis of the research concept of the origin and essence of the deity Safa of the Ossetian pantheon, which belongs to one of the leading Ossetian scholars Tamerlan Alexandrovich Guriev. The concept is presented in the article "Herodot’s Hestia / Tabiti and Safa in the Ossetian Nartyada" [1]. The complexity, "multi-layered" nature of the object under study to this day keeps the discussion in the scientific community. Until now, there is no unequivocal answer about the origins of the appearance of Safa, his true essence, image and character, the etymology of the name. We aim to consider another version interpreting Safa's onomastics and his sacred functions, presented in the concept of the reknown linguist Tamerlan Aleksandrovich Guriev, subject it to scientific analysis and determine the degree of its integration into modern Ossetian studies. The novelty of the research lies in the undertaken cross-analysis of two different concepts of Safa advanced by T.A. Guriev and B.A. Alborov with the aim of finding a number of similar conclusions, to which both scientists at different times came completely independently, which, in turn, indirectly confirms their objectivity. A significant and basic difference in points of view (BA Alborov considered Safu to be derived from the proto-Jewish god Sabaoth, and T.A. Guriev ‒ the Scythian goddess Tabiti), did not prevent the scientists from coming to general conclusions. The most significant similarities between both concepts include the conclusion about Safa's solarity (though interpreted in different ways) and that the deity is in fact the result of masculinization.


Bioethica ◽  
2016 ◽  
Vol 2 (2) ◽  
pp. 5
Author(s):  
Κωνσταντίνα Π. Μυλωνά - Γιαννακάκου (Konstantina Mylona-Giannakakou)

Regarding the issue of balance between environmental sustainability and the inherent ecological interventions of agricultural biotechnology, multiannual studies substantiate that loss of biodiversity, due to the use of GM crops, is globally less important than several other practices. Thus, what explains this diametrically extreme confrontation, from part of the scientific community? I presume, that the controversy is a philosophical one, and is expressed mainly by two contrasting materialistic approaches; the so called reductionist (or molecularist) view and the opposing holistic (or organismic) view, both of which, in their comparative analysis, prove, in my view, their incapability in definitely resolving such dilemmas.The first, as an anthropocentric approach, seems unsuccessful in building any concept of ecosystem integrity on the basis of moral duty while the second, as a biocentric approach, does not take into consideration the effects in human populations, and provides limited guidance with respect to the environments in which agriculture has already replaced the natural order. Norton’s concept provides a new perspective, since it recognizes the human duty to conduct agriculture, in a manner that supports survival for the people on this planet, while simultaneously it maintains the ecological dynamics that sustain life. Based on Norton’s “weak anthropocentrism”, we can be easily led to the “convergence” of policies, through a “contextualized” hierarchy of moral choices for the issues of agricultural biotechnology.


RSC Advances ◽  
2014 ◽  
Vol 4 (105) ◽  
pp. 60974-60986 ◽  
Author(s):  
Yuly Vesga ◽  
Carlos Diaz ◽  
Florencio E. Hernandez

Calculation and comparative analysis of the theoretical two-photon circular dichroism (TPCD) spectra of l-His, l-Phe, and l-Tyr simulating residues in proteins with secondary structures (α-helix, β-strand and random coil), down to the far-UV region (FUV).


2020 ◽  
Vol 13 (2) ◽  
pp. 153-176
Author(s):  
A. F. Yakovleva ◽  
I. T. Mavrodieva ◽  
V. A. Boldin

The article analyzes the experience of development of electronic scientific journals in Russia and Bulgaria in the context of general trends of digitalization and transformation of the sphere of science management in recent decades and also the implementation of a strategy to increase the competitiveness of science in the global scientific community, which is reflected in the activities of scientific journals. The main problem that draws attention of the authors is how universal digitalization changes the usual view of science, affecting the development of periodicals, and how, on the contrary, the network form of social institutions of science affects its development, what place such journals occupy in the general view of science. The article examines the potential of journals in Russia and Bulgaria to promote the achievements of scientists, increase the credibility of representatives of individual scientific and educational institutions, meet the requirements of scientometrics, reflect the trends of transformation of the global scientific landscape, and fight against “fake” science. The object of the research is a number of journals in the fields of political science, philosophy, history, cultural studies, sociology, psychology, communications and information technologies published in Russia and Bulgaria, which originated as a network or use the network form as one of the main ones in their activities. The main method used in the study is an expert survey. The guide of the expert interview includes 18 questions in Russian and Bulgarian. A total of 12 interviews are conducted with editors-in-chief and members of editorial boards of 9 Russian journals, and 8 interviews with editors-in-chief of Bulgarian journals. The comparative analysis reveals similarities and differences in the goal setting of creating electronic journals, their advantages and disadvantages, the role of scientometrics, the choice of access forms and technological solutions for communication, and development prospects. The role of electronic journals in the digital socialization of scientists – authors, editors, and reviewers, and in the transformation of the usual forms of research activities of modern researchers is shown. The question of the key role of electronic journals in the fundamental change in the global scientific landscape at the same time identifies the problem of the crisis of confidence in e-magazines related to as with tradition, accepted by the scientific community, and with inadequate understanding of goal setting of electronic periodicals and their differences from print publications.


Advancement in medical science has always been one of the most vital aspects of the human race. With the progress in technology, the use of modern techniques and equipment is always imposed on treatment purposes. Nowadays, machine learning techniques have widely been used in medical science for assuring accuracy. In this work, we have constructed computational model building techniques for liver disease prediction accurately. We used some efficient classification algorithms: Random Forest, Perceptron, Decision Tree, K-Nearest Neighbors (KNN), and Support Vector Machine (SVM) for predicting liver diseases. Our works provide the implementation of hybrid model construction and comparative analysis for improving prediction performance. At first, classification algorithms are applied to the original liver patient datasets collected from the UCI repository. Then we analyzed features and tweaked to improve the performance of our predictor and made a comparative analysis among the classifiers. We examined that, KNN algorithm outperformed all other techniques with feature selection.


Sign in / Sign up

Export Citation Format

Share Document