bluuebunny/crossref_metadata_2025 huggingface dataset:
Anti-foundationalist Philosophy of Mathematics and Mathematical Proofs
Authors: Krajewski Stanisław
Published: January 2021

The Euclidean ideal of mathematics as well as all the foundational schools in the philosophy of mathematics have been contested by the new approach, called the “maverick” trend in the philosophy of mathematics. Several points made by its main representatives are mentioned – from the revisability of actual proofs to the stress on real mathematical practice as opposed to its idealized reconstruction. Main features of real proofs are then mentioned; for example, whether they are convincing, understandable, and/or explanatory. Therefore, the new approach questions Hilbert’s Thesis, according to which a correct mathematical proof is in principle reducible to a formal proof, based on explicit axioms and logic.
Necessity and Determinism in Robert Grosseteste’s De libero arbitrio
Authors: Trepczyński Marcin
Published: January 2021

In this paper, the theory of necessity proposed by Robert Grosseteste is presented. After showing the wide range of various kinds of determination discussed by him (connected with: (1) one’s knowledge about the future, (2) predestination, (3) fate, (4) grace, (5) sin and temptation), a different context of Grosseteste’s use of the notion of necessity is analyzed (within logical and metaphysical approaches). At the heart of his theory lie: the definition of necessity, which is that something lacks the capacity (posse) for its opposite, and the distinction between two perspectives within which we can consider necessity: (1) the one according to which the truthfulness of a dictum determines that it cannot be the opposite, (2) a pre- or atemporal one, as if something had not yet begun. On these grounds, Robert explains that God’s omniscience is compatible with contingency, including human free decisions. Robert’s theory is still relevant and useful in contemporary debates, as it can provide strong arguments and enrich discussions, thanks to the twoperspectives approach, which generates nine kinds of positions on the spectrum of determinism and indeterminism.
WOMEN’S ROLE IN MITIGATION AND DISASTER MANAGEMENT
Authors: Sumarni Lilik , Rudiatin Endang
Published: January 2021

The impact of climate change caused by global warming is currently one of the trending topics in various media and it is an extremely serious threat to human security. Forest fires, floods, landslides and changes in lifestyles to survive natural disasters are the very significant contributing factors to poverty rates in various parts of the world. The London School of Economics and Political Science conducted a study of 141 countries affected by disasters in the 1981-2002 period and found a close link between natural disasters and women's socioeconomic status. Data from the National Agency for Disaster Management (BNPB) states that women have 14 times of risk for becoming victims of disasters compared to adult men. Women become the most victimized because women prioritize children and their families rather than saving themselves. Although women bear more risks to climate change, women can also have the principal opportunity and role in implementing climate change mitigation adaptation, namely by making women actors in disaster mitigation and drivers of change in parallel to their strong responsibilities to their families. By providing adequate knowledge for women about adaptation and mitigation of disasters, the women can turn themselves to be the strategic activists in coping with disasters for communities living in disaster-prone areas.This study is a comparative discussion of three research results to obtain an overview and find solutions to women's problems from the consequences of climate change, which is a study by changing women from being the most victims of natural disasters to becoming the driving actor for families and communities in overcoming disaster and her ability to survive the post-disaster situation. The conclusion is the three levels of gender roles related to climate change to increase women's adaptive capacity. An adaptation strategy needs the form of 1. Increasing the role of women in the political arena. It is a crucial issue because women's rights can be protected by their presence and role, as well as women in guarding policies. 2. Increasing the role of women in the realm of education. Education is no less important than politics because education will provide a foundation for understanding and self-confidence, bargaining and personal branding for women so that their presence in society will be recognized and will no longer be discriminated. 3. Cultural reconstruction based on gender equality is very important because so far, the notion of patriarchy is still inherent in our culture. Many perspectives are cooptated on the statement that superior (men) are stronger then give rise women mythos that is said to be weak (women). In reality, the presence of women is still fundamental to the aspect of maintaining the economy and education for the continuation and the quality of the life in the society.
List of publications of Academician O.A. Scarlato (1920–1994) prepared for the 100th anniversary of his birth
Authors: Chaban Elena M.
Published: January 2021

Наиболее полный список публикаций академика О.А. Скарлато (1920–1994), подготовленный к 100-летней годовщине со дня его рождения, включает 221 источник. Впервые указаны не только монографии и наиболее значимые статьи, но и заметки, рецензии, авторефераты диссертаций и материалы докладов на конференциях и совещаниях по малакологии, зоологии, биогеографии, гидробиологии, марикультуре и охране окружающей среды. Ключевые слова: библиография, А.О. Скарлато, малакология, зоология, экология. The most complete list of publications of Academician O.A. Scarlato (1920–1994) has been prepared for his 100th anniversary; it includes 221 references. For the first time, not only monographs and the most influential research articles, but also notes, reviews, abstracts of dissertations and reports at the conferences and meetings on malacology, zoology, biogeography, hydrobiology, mariculture and nature protection are included. Key words: bibliography, O.A. Scarlato, malacology, zoology, ecology.
Study on the growth rates of mollusks in hanging culture in Possjet Bay (Sea of Japan)
Authors: Grigoryeva Nina I.
Published: January 2021

Исследована скорость роста культивируемых моллюсков подвесного выращивания в зал. Посьета (зал. Петра Великого, Японское море) за 1970–2011 гг. Приведены ростовые характеристики приморского гребешка (Mizuhopecten yessoensis (Jay, 1857)), тихоокеанской мидии (Mytilus trossulus Gould, 1850) и тихоокеанской (гигантской) устрицы (Crassostrea gigas (Thunberg, 1793)) в течение первых трех лет развития. Методами энтропийного анализа исследованы сроки достижения личинками и спатом определенных размеров. Выявлены временные интервалы и рассчитана вероятность наступления этих сроков. Обсуждается влияние техники культивирования на скорость роста. Ключевые слова: скорость роста, личинки, спат, приморский гребешок Mizuhopecten yessoensis, тихоокеанская мидия Mytilus trossulus, тихоокеанская устрица Crassostrea gigas, залив Посьета, Японское море. The growth rates of cultivated mollusks were studied in Possjet Bay (Peter the Great Bay, Sea of Japan) during 1970–2011. The growth characteristics were presented for the Yesso scallop (Mizuhopecten yessoensis (Jay, 1857)), the blue mussel (Mytilus trossulus Gould, 1850), and the Pacific (giant) oyster (Crassostrea gigas (Thunberg, 1793)) during the first three years of life. The average amount of time of the larvae and spat reaching certain sizes was determined using the method of entropy analysis. The time intervals were identified and the probability of these intervals to happen were also calculated. The influence of the cultivation techniques on the growth rate is discussed. Key words: growth rate, larvae, spat, Yesso scallop Mizuhopecten yessoensis, blue mussel Mytilus trossulus, Pacific oyster Crassostrea gigas, Possjet Bay, Sea of Japan.
ФИЛОСОФСКИЕ СЛЕДСТВИЯ КВАНТОВОЙ ТЕОРИИ ИНФОРМАЦИИ К.Ф. ФОН ВАЙЦЗЕККЕРА
Authors: Родина А.В.
Published: January 2021

Статья посвящена философским следствиям квантовой теории информации
К.Ф. фон Вайцзеккера и нацелена на выявление смыслового содержания понятия «первоальтернатива», а также анализ соотношения материи, формы
и информации в концепции исследователя. Автор приходит к выводу, что
информация является числовой мерой субстанции или мерой множественности форм, форма служит основанием материи, а ур-альтернативы – исходным материалом для реконструкции объекта.
Ключевые слова: квантовая теория информации, философия физики,
К.Ф. фон Вайцзеккер, ур-альтернатива, кубит

The article deals with the philosophical consequences of K.F. von Weizsäcker’s
quantum theory of information. It is aimed at identifying the semantic content
of the concept of «original alternative», as well as analyzing the relationship of
matter, form and information in the concept of the researcher. The author comes
to the conclusion that information is a numerical measure of a substance or a
measure of a plurality of forms, a form serves as the basis of matter, and original
alternatives are the initial material for the reconstruction of an object.
Keywords: quantum theory of information, philosophy of physics, K.F. von
Weizsäcker, original alternative, qubit
Follow-the-Leader Control Strategy for Azimuth Propulsion System on Surface Vessels
Authors:   Dept. of Naval Architecture and Marine, Electrical, Electronic, Telecommunications Engineering (DITEN), Polytechnic School of Genoa University, Genova, Italy, Piaggio B , Garofano V ,   Department of Maritime and Transport Technology, Delft University of Technology, Delft, The Netherlands, Donnarumma S ,   Dept. of Naval Architecture and Marine, Electrical, Electronic, Telecommunications Engineering (DITEN), Polytechnic School of Genoa University, Genova, Italy, Alessandri A ,   Dept. of Mechanical, Power, Industrial and Transport Engineering (DIME), Polytechnic School of Genoa University, Genova, Italy, Negenborn RR ,   Department of Maritime and Transport Technology, Delft University of Technology, Delft, The Netherlands, Martelli M ,   Dept. of Naval Architecture and Marine, Electrical, Electronic, Telecommunications Engineering (DITEN), Polytechnic School of Genoa University, Genova, Italy
Published: January 2021

This paper presents an effective autonomous follow-the-leader strategy for Azimuthal Stern Drive vessels. The control logic has been investigated from a theoretical point of view. A line-of-sight algorithm is exploited to ensure yaw-check ability, while a speed-check feature is implemented to track the velocity of the target along the path. For this purpose, a linearised manoeuvrability model for azimuthal drive surface vessels is presented. A model-based control synthesis is proposed to ensure the stability of the closed-loop system and robust PID controllers are designed by using Linear Matrix Inequalities technique. The control strategy has been successively validated in two steps, initially by using simulation techniques, and then experimentally using an outdoor scenario with model scale tugs. The path planning, navigation, guidance and control modules are studied, detailed, and digitally implemented on-board of the model scale tugs. The models are supplied with GNSS+INS navigation system. Low-level management and control of Azimuthals angles and shaft revolutions is implemented on-board. High-level decentralised path planning, guidance, and control sequence evaluation are dealt with at a remote ground station. In particular, the presented follow-the-leader strategy meets the most generic needs of platooning convoys, and, in the specific instance, of Escort convoy tugs. The operative profile of the latter concerns long-lasting and routine chases with the continuous demand of tuning heading and speed to track the target vessels, until the rare occurrence of an emergency event. In a realistic scenario, the proposed control system would be beneficial for the tug master’s lucidity and alertness, while reducing avoidable risks. At the end of the paper, the results of the experimental campaign are shown to demonstrate the effectiveness of the proposed control logic.
Foreign and domestic experience in creating public-private partnership projects in the aviation industry
Authors: Simonyan Tatiana , Kravtsov Sergey
Published: January 2021

The article is devoted to the study of foreign and domestic experience in improving the efficiency of public-private partnerships in the field of air transportation. The authors analyze the methods and tools of cooperation in the field of PPP and compare the experience of the countries of Europe, the USA, Australia, Asia and Africa with the practice adopted in the Russian Federation. Based on foreign studies, the authors investigate the specifics of PPP contracts in different countries, which make it possible to achieve the maximum economic benefits from the operation of aviation infrastructure facilities. It is concluded that it is necessary to revise some of the features of PPP in Russia, which will allow solving a number of socio-economic problems.
ТОЧНІСТЬ ФОРМОУТВОРЕННЯ ПОВЕРХОНЬ ТІЛ ОБЕРТАННЯ ПРИ ШЛІФУВАННІ З ВИКОРИСТАННЯМ МАСТИЛЬНО-ОХОЛОДЖУЮЧОГО ТЕХНОЛОГІЧНОГО СЕРЕДОВИЩА
Authors: Yeroshenko Andriy , Doroshenko Oleksandra
Published: January 2021

Актуальність теми дослідження. Дослідження спрямовані на виявлення та встановлення чинників, що найбільше впливають на точність формоутворення поверхонь тіл обертання при шліфуванні, є актуальним завданням у машинобудуванні. Постановка проблеми. Точність формоутворення поверхонь тіл обертання залежить від точності лінійних розмірів, якості оброблюваної поверхні, точності форми та взаємного розташування поверхонь. Ці параметри залежні від багатьох змінних факторів, що впливають на процес обробки. При круглому шліфуванні високої точності можливо досягти лише при великій втраті продуктивності. Аналіз останніх досліджень і публікацій. У відомих дослідженнях точності формоутворення поверхонь тіл обертання при шліфуванні фактори, що впливають на якість оброблюваної поверхні, розглядаються незалежно один від одного. Виділення недосліджених частин загальної проблеми. Дослідження процесу круглого шліфування з метою виявлення найбільш впливових факторів та встановлення їх оптимальних значень. Постановка завдання. Виявлення основних та другорядних чинників, що впливають на процес формоутворення поверхонь тіл обертання при круглому шліфуванні. Встановлення граничних значень обраних факторів. Проведення
експериментальних досліджень для отримання числових значень параметрів точності. Проведення статистичного аналізу отриманих даних та створення математичної моделі процесу. Проведення повного факторного експерименту з метою оптимізації процесу шліфування. Виклад основного матеріалу. Експериментально досліджено точність формоутворення поверхонь тіл обертання при круглому шліфуванні на основі виявлення найбільш впливових змінних факторів у категоріях: верстат та оснащення, заготовка. Здійснено статистичне оцінювання факторів за планом Plackett-Burman (7/8). Проведено дисперсійний аналіз експерименту. Виявлені залежності між факторами (побудовані графіки маргінальних середніх та графіки взаємодій факторів). Виявлено найбільш впливовий фактор. Проведено повний факторний експеримент, оптимізацію процесу з метою встановлення оптимальних показників найбільш впливових факторів. Висновки відповідно до статті. У результаті проведених досліджень виявлено найбільш впливовий фактор процесу круглого шліфування поверхонь тіл обертання. Розв’язана задача оптимізації, побудовано оптимальний профіль бажаності.
Extrañamientos en la ciudad. Del shock urbano a las derivas situacionistas
Authors:   Universidad de La Laguna (España), Vallespín Toro Nuria
Published: January 2021

The strange has always been present throughout history. Exploring the links between disciplines such as literature, cinema, art, sociology, etc. We place the concept of strangeness as a state that comes up: as an unforeseen event, as an effect of astonishment, and its derivations as the extraordinary, the rare, the sublime, the stranger, anomalies, random, etc. From strange wonder spaces, such as the Cabinets of Curiosities, Wonders Cameras and the Phantasmagorias linked to special effects, we will focus on estrangement in the context of the urban environment, represented by the flâneur as a distracted passer-by, by Situationists’ derives with utopian cities as New Babylon and their experimental cartographies and by cinematographic characters such Mr. Hulot, who construct poetic discourses on the estrangement of the everyday. Through them we will see how the city offers itself to us as the scene of events where the irruption of the strange in all its complexity is manifested
Evolución reciente de la inmigración marítima irregular en Canarias
Authors:   Universidad de La Laguna (España), Godenau Dirk , Buraschi Daniel ,   Universidad de La Laguna (España), Zapata Hernández Vicente M. ,   Universidad de La Laguna (España)
Published: January 2021

La reciente intensificación de las migraciones marítimas irregulares que protagonizan la ruta atlántica a través de Canarias, con el fin de acceder al continente europeo desde el africano, coincide en el tiempo con el desarrollo de la pandemia por coronavirus e incorpora algunas novedades en relación con una corriente que viene estando presente en el devenir del archipiélago desde hace casi tres décadas. También ofrece muchas similitudes con la permanente manifestación de esta afluencia, pese a que la escasa planificación y debilidad de la respuesta articulada inicialmente para abordar su gestión integral, ha situado el fenómeno en el primer plano de la actualidad y el debate en la región. Y de esta manera, un contexto social de enorme incertidumbre debido a la crisis sanitaria y económica, el conocimiento directo y casi en directo del desenlace de muchas expediciones a través de las redes sociales, junto al desconcierto que transmite la gestión de esta movilidad pese a que sus cifras no son comparables a las de la década anterior, entre otros aspectos, plantean la necesidad de retomar su análisis con el objetivo de desentrañar sus actuales características y claves para su comprensión.
How to choose the NPWT option in practice (sponges or dressings, indications for their use depending on the purpose of treatment, device selection)
Authors: Teot L.
Published: January 2021

NPT is part of the daily management of complex wounds with delayed healing. It is essential in 2018 to understand the mechanisms of action of the various machines available on the wound market in France. In order to put the right indication for a defined clinical problem to know the difference between fixed and heavy techniques, imposing immobilization of the patient due to the need for a permanent connection and the simpler, ambulatory techniques that combine effective negative pressure while allowing a better quality of life. The recent contribution of the instillation has completed the offer by opening the possibility of instilling in the wound variable liquids in their composition and their effect. The recent introduction of a new foam also suggests the possibility of cleaning the wound with a tool hitherto reserved for the promotion of granulation tissue.
Anniversary of Professor Alfred Arkadievich Zvyagin (May 22, 1940)
Authors: Paskhalova Yu. S.
Published: January 2021

The article presents a brief biography of the permanent head of the anesthesiology and resuscitation group in wounds and wound infections department of the Federal State Budgetary Institution “A. V. Vishnevsky National Medical Research Center of Surgery” Ministry of Health of Russia Alfred A. Zvyagin (05/22/1940) in honor of his 80th anniversary, of which 52 years passed within the walls of the A. V. Vishnevsky institute of surgery!
Deletion in Syndrome Compounds Perspective Antarah Bin Shaddad: An applied grammatical study
Authors: Adam Faiz Shuaib
Published: January 2021

The deletion in the syndromic compounds is a syntactic phenomenon that deals with the syntactic changes that occur to the Arabic sentence in deleting one of the compounds, and the compounds associated with this concept are those terms that the owner does not separate from the other, And its deletion is one of the characteristics of the Arabic language, the structure of the economy in the composition, and the structure of that deletion builds on several purposes and grammatical errors that suggest and summarize that. The research deals with these compounds contained in the commentary of Antarah bin Shaddad, who is one of the knights ’poets from the pre-Islamic era, because of the large number of these omissions in this comment.
Synthesis of Carboxamides Tranylcypromine Analogues as LSD1 (KDM1A) Inhibitors for AML
Authors: Borrello Teresa , Tam Chak Hin , Shafat Manar , Rushworth Stuart , Bowles Kristian , Bailey Sarah , Crabb Simon , Packham Graham , J. Duriez Patrick , Ganesan Pr. , Benelkebir Hanae , Douglas Leonard
Published: January 2021

Lysine-specific demethylase 1 (LSD1/KDM1A) oxidatively removes methyl groups from histone proteins and its aberrant activity has been correlated with cancers including acute myeloid leukemia (AML). We report a novel series of tranylcypromine analogues with a carboxamide at the 4-position of the aryl ring. These compounds, such as 5a and 5b, had potent submicromolar IC50 values for the inhibition of LSD1 as well as cell proliferation in a panel of AML cell lines. The dose-dependent increase in cellular expression levels of H3K4me2, CD86, CD11b and CD14 supported a mechanism involving LSD1 inhibition. The t-butyl and ethyl carbamate derivatives of these tranylcypromines, although inactive in LSD1 inhibition, were of similar potency in cell-based assays with a more rapid onset of action. This suggests carbamates can act as metabolically labile tranylcypromine prodrugs with superior pharmacokinetics.
Ultimate Molecular Theory of Bitter Taste
Authors: He Huazhong
Published: January 2021

More than thirty years ago, I proposed a theory about sweet and bitter molecules’ recognition by protein helical structures. Unfortunately the papers could not go to public platform until now. Inspired by the sweet taste theory1,2, this bitter taste theory conveys that bitter molecules are recognized by receptor protein helical structures. The recognition process is a dynamic action, in which the receptor protein helices have a torsion-spring-like oscillation between helical structures of 3.6 and 4 amino acids per turn. Based on the characteristics of the bitter receptor protein helix oscillation, it perfectly explains why in bitter molecules, only one unit of hydrogen donor (DH) or hydrogen acceptor (B) is enough in helping molecules to elicit bitter taste. The potential DH and B in bitter receptor are any NH or O of receptor’s peptide NHs and Os, which are the ones forming intramolecular H-bonds responsible for the formation of receptor protein helical structures. Furthermore, only one unit of DH or B is allowed for structurally simple ligands. As recognition sites are only associated with a small fraction – helix structure of whole bitter receptor, multiple binding sites or multiple receptors are well expected. As the oscillation may have different extent, it translates to bitterness intensity. According to ligand-receptor binding motion, bitter receptor could be divided into two kinds of spaces, which are similar to the situation in sweet taste receptor: main and side grooves. These have been discussed in context and especially great details in paper titled deciphering aspartyl peptide sweeteners 2.
Computational Protein Stabilization Can Affect Folding Energy Landscapes and Lead to Domain-Swapped Dimers
Authors: Markova Klara , Kunka Antonin , Chmelova Klaudia , Havlasek Martin , Babkova Petra , Marques Sérgio M. , Vasina Michal , Planas-Iglesias Joan , Chaloupková Radka , Bednar David , Prokop Zbynek , Damborsky Jiri , Marek Martin
Published: January 2021

The functionality of a protein depends on its unique three-dimensional structure, which is a result of the folding process when the nascent polypeptide follows a funnel-like energy landscape to reach a global energy minimum. Computer-encoded algorithms are increasingly employed to stabilize native proteins for use in research and biotechnology applications. Here, we reveal a unique example where the computational stabilization of a monomeric α/β-hydrolase enzyme (Tm = 73.5°C; ΔTm > 23°C) affected the protein folding energy landscape. Introduction of eleven single-point stabilizing mutations based on force field calculations and evolutionary analysis yielded catalytically active domain-swapped intermediates trapped in local energy minima. Crystallographic structures revealed that these stabilizing mutations target cryptic hinge regions and newly introduced secondary interfaces, where they make extensive non-covalent interactions between the intertwined misfolded protomers. The existence of domain-swapped dimers in a solution is further confirmed experimentally by data obtained from SAXS and crosslinking mass spectrometry. Unfolding experiments showed that the domain-swapped dimers can be irreversibly converted into native-like monomers, suggesting that the domain-swapping occurs exclusively in vivo. Our findings uncovered hidden protein-folding consequences of computational protein design, which need to be taken into account when applying a rational stabilization to proteins of biological and pharmaceutical interest.
Novel copper(I) complex of 2,5-Bis(2-pyridyl)phosphole: Synthesis, Characterization, Catalytic Activity and DFT Calculations
Authors: Guaramato Jeremy , Fuentes Franmerly , Rivera-Campos Rocío , Oliveros Deivi , Mora José R. , Reiber Andreas , Ávila Edward , Otero Yomaira , Garcia Garfido Juan Manuel
Published: January 2021

A copper(I) complex [CuCl{k1(P)-1a}{k2(P,N)-1a}] (1a = 2,5-bis(2-pyridyl)-1-phenylphosphole) with pseudo tetrahedral geometry was synthesized. In solution, 1a displays a hemilabile behaviour leading to a dynamic equilibrium between four and three-coordinate specie. Its catalytic potential was tested in synthesis of propargylamines and 1,2,3-triazoles via three-component reactions. Experimental results discussed on base to DFT calculations.
Fast Sonochemical Exfoliation of Hematene type Sheets and Flakes from Hematite Nanoarchitectures Shows Enhanced Photocurrent Density
Authors: BORA Debajeet
Published: January 2021

Here, we describe the exfoliation of 2D Hematene single layer from a Hematite nanoparticle-based nanoarchitectures obtained by a water-mediated synthesis route with the ultrasonication method in a brief period which is 5 min. The Hematene obtained shows the fine structure of honeycomb lattice resembling the Hematite hexagonal crystallographic pattern. Here, we found that the ultrasonicated Hematite film with Hematene flakes shows enhanced current density than the pristine Hematite film which can be extended further to increase the efficiency of well-performing or champion photoanode for the artificial photosynthesis application. Besides this, a new photocurrent transient spike is obtained, which we ascribed as the generation of the sub-surface state by Hematene flakes. Followed by this, we have also deciphered a qualitative predictive mechanism for the fast exfoliation of Hematene in which surface energies and hydroxylation of crystal facets are proposed to be the factor responsible for the quick exfoliation process.
[CrIII8NiII6]n+ Heterometallic Coordination Cubes
Authors: O'Connor Helen , Sanz Sergio , Scott Aaron , Pitak Mateusz , Klooster Wim , Coles Simon , Chilton Nicholas , J. L. McInnes Eric , Lusby Paul J. , Weihe Hogni , Piligkos Stergios , Brechin Euan
Published: January 2021

Three new heterometallic [CrIII8NiII6] coordination cubes of formulae [CrIII8NiII6L24(H2O)12](NO3)12 (1), [CrIII8NiII6L24(MeCN)7(H2O)5](ClO4)12 (2) and [CrIII8NiII6L24Cl12] (3) (where HL = 1-(4-pyridyl)butane-1,3-dione), were synthesised using the paramagnetic metalloligand [CrIIIL3] and the corresponding NiII salt. The magnetic skeleton of each capsule describes a face-centred cube in which the eight CrIII and six NiII ions occupy the eight vertices and six faces of the structure, respectively. Direct current magnetic susceptibility measurements on (1) reveal weak ferromagnetic interactions between the CrIII and NiII ions, with JCr-Ni = +0.045 cm-1 . EPR spectra are consistent with weak exchange, being dominated by the zero-field splitting of the CrIII ions. Excluding wheel-like structures, examples of large heterometallic clusters containing both CrIII and NiII ions are rather rare, and we demonstrate that the use of metalloligands with predictable bonding modes allows for a modular approach to building families of related polymetallic complexes. Compounds (1)-(3) join the previously published, structurally related family of [MIII8MII6] cubes, where MIII = Cr, Fe and MII = Cu, Co, Mn, Pd.
Learning from Docked Ligands: Ligand-Based Features Rescue Structure-Based Scoring Functions When Trained On Docked Poses
Authors: Boyles Fergus , Deane Charlotte M , Morris Garrett
Published: January 2021

Machine learning scoring functions for protein-ligand binding affinity have been found to consistently outperform classical scoring functions when trained and tested on crystal structures of bound protein-ligand complexes. However, it is less clear how these methods perform when applied to docked poses of complexes.

We explore how the use of docked, rather than crystallographic, poses for both training and testing affects the performance of machine learning scoring functions. Using the PDBbind Core Sets as benchmarks, we show that the performance of a structure-based machine learning scoring function trained and tested on docked poses is lower than that of the same scoring function trained and tested on crystallographic poses. We construct a hybrid scoring function by combining both structure-based and ligand-based features, and show that its ability to predict binding affinity using docked poses is comparable to that of purely structure-based scoring functions trained and tested on crystal poses. Despite strong performance on docked poses of the PDBbind Core Sets, we find that our hybrid scoring function fails to generalise to anew data set, demonstrating the need for improved scoring functions and additional validation benchmarks.

Code and data to reproduce our results are available from https://github.com/oxpig/learning-from-docked-poses.
Deep Generative Models Enable Navigation in Sparsely Populated Chemical Space
Authors: Skinnider Michael A. , Stacey R. Greg , Wishart David S. , Foster Leonard J.
Published: January 2021

Deep generative models are powerful tools for the exploration of chemical space, enabling the on-demand gener- ation of molecules with desired physical, chemical, or biological properties. However, these models are typically thought to require training datasets comprising hundreds of thousands, or even millions, of molecules. This per- ception limits the application of deep generative models in regions of chemical space populated by only a small number of examples. Here, we systematically evaluate and optimize generative models of molecules for low-data settings. We carry out a series of systematic benchmarks, training more than 5,000 deep generative models and evaluating over 2.6 billion generated molecules. We find that robust models can be learned from far fewer examples than has been widely assumed. We further identify strategies that dramatically reduce the number of molecules required to learn a model of equivalent quality, and demonstrate the application of these principles by learning models of chemical structures found in bacterial, plant, and fungal metabolomes. The structure of our experiments also allows us to benchmark the metrics used to evaluate generative models themselves. We find that many of the most widely used metrics in the field fail to capture model quality, but identify a subset of well-behaved metrics that provide a sound basis for model development. Collectively, our work provides a foundation for directly learning generative models in sparsely populated regions of chemical space.
Hydride- and Halide-Substituted Au9(PH3)83+ Nanoclusters: Similar Absorption Spectra Disguise Distinct Geometries and Electronic Structures
Authors: Ceylan Yavuz S. , Gieseking Rebecca
Published: January 2021

Ligands can dramatically affect the electronic structure of gold nanoclusters (NCs) and provide a useful handle to tune the properties required for nanomaterials that have high performance for important functions like catalysis. Recently, questions have arisen about the nature of the interactions of hydride and halide ligands with Au NCs: hydride and halide ligands have similar effects on the absorption spectra of Au NCs, which suggested that the interactions of the two classes of ligands with the Au core may be similar. Here, we elucidate the interactions of halide and hydride ligands on phosphine-protected gold clusters via theoretical investigations. The computed absorption spectra using time-dependent density functional theory are in reasonable agreement with the experimental spectra, confirming that the computational methods are capturing the ligand-metal interactions accurately. Despite the similarities in the absorption spectra, the hydride and halide ligands have distinct geometric and electronic effects. The hydride ligand behaves as a metal dopant and contributes its two electrons to the number of superatomic electrons, while the halides act as electron-withdrawing ligands and do not change the number of superatomic electrons. Clarifying the binding modes of these ligands will aid in future efforts to use ligand derivatization as a powerful tool to rationally design Au NCs for use in functional materials.
On-Demand Electrochemical Synthesis of copper(I) Triflate and Its Application in the Aerobic Oxidation of Alcohols
Authors: Nicholls Thomas P. , Bourne Richard A. , Nguyen Bao N. , Kapur Nikil , Willans Charlotte
Published: January 2021

An on-demand electrochemical synthesis of copper(I) triflate under both batch and continuous flow conditions has been developed. A major benefit of the electrochemical methodology is that the only by-product of the reaction is hydrogen gas which obviates the need for work-up and purification, and water is not incorporated into the product. Upon completion of the electrochemical synthesis, solutions are directly transferred or dispensed into reaction mixtures for the catalytic oxidation of alcohols with no requirement for work-up or purification.
Reorganization of Self-Assembled DNA-Based Polymers Using Orthogonally Addressable Building Blocks
Authors: Gentile Serena , Grosso Erica Del , Prins Leonard J. , Ricci Francesco
Published: January 2021

Taking advantage of the addressability and programmability of DNA/DNA non-covalent interactions we report here the rational design of orthogonal DNA-based addressable tiles that self-assemble into polymer-like structures that can be reconfigured and reorganized by external inputs. The different tiles share the same 5-nucleotide sticky ends responsible for self-assembly but are rationally designed to contain a specific regulator-binding domain that can be orthogonally targeted by different DNA regulator strands (activators and inhibitors). We show that by sequentially adding specific activators and inhibitors it is possible to re-organize in a dynamic and reversible way the formed polymer-like structures to display well-defined distributions: homopolymers made of a single tile, random polymers in which different tiles are distributed randomly and block structures in which the tiles are organized in segments.
System edukacji w dyskursie władzy – krytyczna analiza dyskursu władz oświatowych wokół reformy edukacji w Polsce z 2017 roku
Authors: Dorczak Robert
Published: January 2021

W niniejszym artykule przedstawiono analizę dyskursu tworzonego przez władze dotyczącego reformy edukacji w Polsce z 2017 roku z zastosowaniem krytycznej analizy dyskursu jako metody badawczej. W pierwszej części przywołano kilka socjologicznych koncepcji edukacji, które posłużyły do stworzenia kategorii analitycznych. W kolejnej części przedstawiono założenia teoretyczne KA D oraz konceptualizację analizy, a także pytania i hipotezy badawcze. W trzeciej części przeprowadzono właściwą analizę wybranych fragmentów dyskursu, po której opisano wnioski z analizy.
Desain Manajemen Pendidikan dengan Model Problem Based Learning (PBL) dalam Meningkatkan Motivasi Belajar Siswa SMP
Authors:   SMP Negeri 5 Kota Mojokerto, Fitriyah Afif Lailatil , Putra Miftakhul Ilmi S. ,   Universitas Pesantren Tinggi Darul Ulum, Jombang, Solichin Mujianto ,   Universitas Pesantren Tinggi Darul Ulum, Jombang, Amrulloh Amrulloh ,   Universitas Pesantren Tinggi Darul Ulum, Jombang, Anwar M.  Ansor ,   Universitas Pesantren Tinggi Darul Ulum, Jombang
Published: January 2021

Penelitian ini bertujuan untuk mendeskripsikan penerapan desain manajemen pendidikan dengan model Problem Based Learning (PBL) untuk meningkatkan motivasi belajar IPA siswa kelas VIII SMP Negeri 5 Kota Mojokerto. Sampel penelitian adalah 34 siswa kelas VIII G SMP Negeri 5 Kota Mojokerto. Penelitian pengembangan ADDIE dilaksanakan pada bulan Oktober-Desember 2019 menggunakan metode eksperimen dengan teknik pengumpulan data melalui tes kognitif, observasi, dan wawancara. Hasil penelitian menunjukkan bahwa PBL dapat meningkatkan motivasi belajar siswa kelas VIII SMP Negeri 5 Kota Mojokerto. Motivasi belajar siswa terhadap pembelajaran IPA menggunakan PBL adalah valid dan positif.
Editorial
Authors: Carvalho Helder Buenos Aires de , Sousa José Elielton de
Published: January 2021

Editorial Vol. 11, n.24, 2020 - Pensando: Revista de Filosofia
Finite Element Model for Cardiac Cell mechano-electrical stimulation
Authors: Urdeitx Diaz Pau , Doweidar Mohamed H.
Published: January 2021

Cardiomyocyte behavior is highly dependent on the mechanical and electrical stimuli. We present a computational model, based on the FEM, to evaluate their behavior under electro-mechanical stimulation. Cell migration, adhesion, and collective behavior have been considered. Low stiffness and high alternating electric field have shown to be the best combination.
Influencia del envejecimiento en la función oculomotora. Comparación entre ancianos con cefalea y ancianos asintomáticos.
Authors: Monti Sofía , Malo Miguel , Lucha Mª Orosia , Tricas José Miguel , Corral de Toro Jaime , Márquez Sergio
Published: January 2021

El envejecimiento muscular puede afectar a la función oculomotora. Este estudio comparativo y correlacional muestra diferencias estadísticamente significativas en los resultados del gaze stability test entre un grupo de jóvenes y adultos, y uno de ancianos, si bien, no hay diferencias significativas entre el grupo de ancianos con cefalea y asintomáticos.
Biological Matrix for 2.5D Renal Model in vitro
Authors: Lacueva Aparicio Alodia , Fernández Luis , Giménez Ignacio
Published: January 2021

The extracellular matrix provides mechanical support to renal cells and enhance tridimensional disposition in cell culture. For that reason, biological matrices are widely used in renal models in vitro. Here we present a user-friendly 2.5D renal model that can be used for nephrotoxic assays.
Estrategia de Diseño de Amplificadores de Bajo Ruido Integrados en Tecnología CMOS nanométrica
Authors: Martínez Pérez Antonio D , Martínez Martínez Pedro A. , Royo Guillermo , Aznar Francisco , Celma Santiago
Published: January 2021

Las topologías empleadas en los amplificadores de bajo ruido (LNA) han ido haciéndose cada vez más complejas, con las desventajas que ello implica en coste y tiempo de diseño. Este trabajo propone lo contrario, volver a topologías más sencillas y aprovechar dicha sencillez para optimizarlas logrando resultados altamente competitivos.
José Manuel Naveiro - Modelo de simulación del crecimiento de callo óseo en consolidación de fracturas
Authors: Naveiro José Manuel
Published: January 2021

Póster presentado en la IX Jornada de Jóvenes Investigadores del I3A
Instituições, mudanças e estabilidade na pesquisa agropecuária: uma análise do caso brasileiro
Authors: Zingler Karine Daiane , Silva Leonardo Xavier da , Schultz Glauco
Published: January 2021

A pesquisa agropecuária tem como uma de suas importantes consequências a alteração de determinadas práticas, formas de produzir e uso de insumos, um processo inerente de mudança direcionada à produção agropecuária. De outro lado, essa mudança pode ser planejada e direcionada por determinados atores, entre eles destaca-se o Estado, na forma da política de pesquisa agropecuária, ou pode ser apenas uma reação às mudanças já introduzidas no ambiente. Para tanto, esse artigo, que se propõe a analisar as mudanças na pesquisa agropecuária no Brasil com enfoque na inserção dos temas de pesquisa considerados inovadores, como produção orgânica e agroecologia no âmbito da Empresa Brasileira de Pesquisa Agropecuária, a Embrapa. Tal objetivo é alcançado a partir de pesquisa bibliográfica com aporte teórico na Nova Economia Institucional, pesquisa no portal da Embrapa em sua base de dados, e a partir de um questionário enviado e respondido por pesquisadores e técnicos da organização. Após, as análises e leituras realizadas percebeu-se que existem ações sendo desenvolvidas em assuntos relacionados à agroecologia e agricultura orgânica e agricultura familiar de forma crescente a partir dos anos 2000, porém, ainda parece ter força e grande representatividade a pesquisa convencional, no âmbito da organização pesquisada.
As consequências da BR 158/MT para o território indígena de Marãiwatsédé
Authors: Demambro Eliseu , Pietrafesa Pedro Araújo , Rojas Gabriela Vivian Gómez
Published: January 2021

O presente artigo analisa as consequências da rodovia BR 158/MT para a comunidade indígena do povo Xavante que vivia na área chamada Marãiwatsédé ao leste do Estado de Mato Grosso e sofreram com processos de remoção e expropriação de seu território. Este conflito iniciou na década de 1960 e expõe o protagonismo deste povo durante o processo de luta pela terra e retorno ao território já no ano de 2013. A metodologia utilizada, de cunho qualitativo, ancorar-se-á em pesquisa bibliográfico-documental e pesquisa de campo, por meio de entrevista não estruturada. Desta forma, o artigo apresenta as percepções de lideranças indígenas a respeito da rodovia que ora passava dentro de seu território e agora faz um contorno na mesma área. Com a intenção de atender as metas do governo federal, o estado de Mato Grosso priorizou o desenvolvimento econômico e as comunidades indígenas sofreram grandes perdas de seu território original. Um dos resultados deste artigo foi que mesmo achando a BR 158/MT extremamente necessária para sua sobrevivência, os líderes indígenas se queixam da não participação nas discussões que definem ações dentro de seus territórios.
Turismo em Nova Petrópolis: perspectivas de desenvolvimento do turismo cultural
Authors: Santos Rodrigo José dos , Heredia Vania Beatriz Merlotti
Published: January 2021

O presente estudo traz para a discussão possibilidades de desenvolvimento do turismo cultural no município de Nova Petrópolis. Tem por objetivo reunir e sistematizar informações sobre a vinda dos imigrantes alemães para o Rio Grande do Sul em 1824, e por consequência, a chegada em Nova Petrópolis no ano de 1858. A proposta do estudo inclui a criação do cooperativismo, numa das comunidades de Nova Petrópolis, Linha Imperial, considerada o berço do cooperativismo na América Latina.  A comunidade da Linha Imperial possui uma forte cultura na área do cooperativismo e seu estudo permite entender ações que foram desencadeadas a partir da chegada dos alemães nessa localidade que hoje integra a região turística das Hortênsias. O estudo foi dividido em três momentos sendo o primeiro uma contextualização da chegada dos imigrantes na região; o segundo o desenvolvimento do cooperativismo em Nova Petrópolis e o terceiro a vinculação da comunidade e o turismo cultural. A pesquisa realizada é de natureza bibliográfica e contou com documentos e resultados de outras pesquisas acerca da imigração alemã no Rio Grande do Sul. Uma das primeiras comunidades fundadas foi Linha Imperial, onde se verifica a organização da localidade por meio de princípios e valores culturais trazidos da terra de origem. Constata-se que o estudo dessa comunidade pode contribuir para o desenvolvimento do turismo no município de Nova Petrópolis.
A importância de uma instituição federal de educação profissional para a formação, difusão e uso da ciência, tecnologia e inovação (CTI) a partir da implementação de uma política de CTI
Authors: Morais Ximena Novais de , Meza Maria Lucia Figueiredo Gomes de
Published: January 2021

A implementação efetiva de uma Política de Ciência, Tecnologia e Inovação (PCTI) demanda uma interação adequada entre políticas públicas e um Sistema de Inovação bem estruturado, com seus agentes aptos a desenvolver suas potencialidades. Para a implementação de uma PCTI, uma das políticas que converge é a política de educação. Da relação entre a PCTI e a política para a educação profissional, emergem dos Institutos Federais de Educação, Ciência e Tecnologia, como operadores de CTI, gargalos e potencialidades. Na pesquisa, além de levantamento documental, foram aplicados questionários a diferentes públicos do Instituto Federal do Paraná a fim de identificar suas percepções sobre formação, difusão e uso da ciência, tecnologia e inovação a partir da implementação da PCTI. Os resultados demonstraram a emergência de alguns gargalos, tais como barreiras financeiras, administrativas e culturais, comprometendo a plena integração da instituição ao seu entorno e o alcance dos objetivos das políticas. Ainda assim, as potencialidades identificadas, bem como o diálogo das políticas com os objetivos da PCTI demonstram um campo propício para uma contribuição mais efetiva da educação profissional para o fortalecimento dos Sistemas Regionais de Inovação.
On Environmental Biotechnology of Bioremediation
Authors:   Environmental Engineering, Guangdong Technion Israel Institute of Technology, 241 Daxue Road, Shantou, Guangdong 515063, China, Gu Ji-Dong
Published: January 2021

Environmental biotechnology (EB) can play positive and an important role in detoxifying and eliminating pollutants, and cleaning up the contaminated sites of ecosystems, but the development of any EB is based largely on the scientific knowledge and results of (micro)biology and chemistry, and then application mainly on engineering and management. Biodegradation and bioremediation by definition are different in meaning and, as a result, they must be treated differently. On the fundamental basis, the biochemical reactions and the biochemical degradation pathway of any targeted toxicant concerned are basic information before the degradability of the selective pollutant by a microorganism can be claimed. Bioremediation becomes feasible for implementation with the knowledge of the biochemical reactions by the biological agent coupling with the engineering and management to achieve a successful attempt at a site. Though the degradability by a microorganism can be achieved in laboratory condition, the cleaning up of the pollutant at any site needs additional information and knowledge of the physical, chemical and ecological characteristics of the site to allow any success to be achieved. The broad EB can include utilization of pure and selective microorganisms, the biochemical reactions by either pure or mixed culture, enzymes, and metabolic products of microorganisms. In addition, microorganisms may also work in the form of biofilm to carry out the function to detoxify the toxic environmental chemicals. In addition to microorganisms, plants can play an important role in phytoremediation. Overall, environmental biotechnology needs at least three steps to prove its effectiveness from concept testing in laboratory, establishment of the mechanisms involved, workability in complex system and ecosystems, and lastly the implementation and practice on site. A laboratory success on degradation cannot be quickly and simply treated as a claim of EB for bioremediation for application.