bluuebunny/crossref_metadata_2025 huggingface dataset:
ASPECTE PRACTICE ALE UTILIZĂRII TERAPIEI COGNITIVE ÎN MANAGEMENTUL RESURSELOR UMANE DIN ORGANIZAȚIILE BANCARE
Authors: Aniței Mihai , Pănescu Oana , Chraif Mihaela
Published: November 2020

Stiința este tot mai mult recunoscută ca o valoare strategică si ca o sursă de avantaj competitiv. În organizații, schimbarea se produce din mai multe cauze si ia diverse forme. Desi schimbările, de cele mai multe ori, aduc beneficii organizațiilor, angajații privesc, de obicei, sovăitor aceste shimbări. Un factor care influențează comportamentul angajaților si relațiile lor cu ceilalți la locul de muncă este stresul. Potrivit Managementului Stresului, stresul poate produce anxietate si depresie în rândul angajaților. Scopul cercetării este de a experimenta cum anume consecințeleorganizaționale, ca depresia si anxietatea, pot fi controlate prin terapia cognitivă,schimbând comportamentul angajaților cu un răspuns adaptativ la stres, anxietate si depresie.
Indicators for optimization of legislation and law enforcement, methods of their identification and usage based on big data (experience of computational experiments on the judicial acts on administrative offenses established by the Chapter 18 Of the Code of Administrative Offenses of the Russian Federation)
Authors: Trofimov Egor , Metsker Oleg Gennad'evich
Published: November 2020

The subject of this article is the research tools and assessment methods with regards to optimization of legislation and law enforcement. The paper reveals the experience of computational experiments on the judicial acts on administrative offenses established by the Chapter 18 of the Code of Administrative Offenses of the Russian Federation. The research employs various computer methods, including knowledge modeling, methods of natural language processing and machine learning, as well as the related within the framework of interdisciplinary paradigm methods of systemic analysis and expert assessment. Computational experiments were conducted on the empirical basis formed out of texts of 50,438 judicial acts. On the example of big data on administrative offenses, the article demonstrates the interdisciplinary (from computer and legal perspectives)  interpreted results in the context of usage and identification of a number of indicators for optimization of legislation and law enforcement, primarily – time indicator, indicator of individualization of punishment, and indicator of subject uniformity. The conclusions and generalizations are made pertaining to legislation and law enforcement in this area under consideration. Computational methods and the set of indicators can be the groundwork for making decisions in law policy. The advantages of the proposed methodology consist in objectivity of the conclusions that based on methodology open to public verification, as well as big legal data that ensures accuracy of research.
Retrospective view of the norms of inheritance as a historical foundation of establishment of the institution of inheritance fund
Authors: Litvinenko Daria Alekseevna
Published: November 2020

This article is aimed at determination of the factors and circumstances, which in different historical periods most significantly impacted the formation of the norms of inheritance that regulate inheritance of a business, and currently contribute to the formation of legal constructs of the inheritance fund. The author believes that such reasons are of both, sociocultural and political nature. Widening the circle of heirs from immediate family through paternal lineage to the possibility of leaving to any person, as well as drawing up a will upon the condition of creation an inheritance fund, the mission of which could be only philanthropic, and reflect the development of legal thought and freedom of a testator the correspond to the relevant needs of the society. The main conclusion consists in tracing the causal link between the relevant needs of civil circulation and the arising need of providing its participants with the efficient tools for hereditary succession a business in different periods of development of national legislation. The importance of providing extensive tools for inheritance planning is justified by the complexity of modern business structures and objects that can be a part of them.  Rapidly changing economic and social conditions of modern world dictate the responsibility of a legislator to render the subject of law flexible and thought-out tools for inheritance planning. Establishment of the institution of inheritance fund, as a result of the conducted reform of inheritance, became a naturally occurring stage in improvement of the Civil Code of the Russian Federation.
Semantic identification of the novel “Evgenia Ivanovna” by Leonid Leonov
Authors: Bezrukov Andrey Nikolaevich
Published: November 2020

The prose by Leonid Leonov exemplifies the dialogue of the writer with literary and cultural formations of the past. Artistic thinking of the writer is oriented towards the potentiality of discursive combinations, as well as the expression of his authorial position. The object of this research is the novel “Evgenia Ivanovna”, which is structured on the principle of condensation of intertextual references. The subject of this research is the versatile type of narration of the prose writer of the XX century. He implements the plot of the text by means of constructive dialogue with classic literature. Research methodology synthesizes the verges of intertextual, structural, conceptual, hermeneutical, and comparative approaches. Reception of the novel “Evgenia Ivanovna” becomes more complicated with the course of historical time. The philosophy of Leonov’s text consists in relative simplicity. Specificity of the novel lies in finding a compromise solution. The author suggestively intertwines fates of the characters into a single large event, which affects the entire country. The formulated conclusions specify the scale of the persona of Leonid Leonov in literary process of the XX century. This material may be valuable for further research on the specificity of Russian classic literature.
The criteria for assessing the effectiveness of social reportage on regional television (the example of the Republic of Buryatia)
Authors: Lenkhoboeva Tatiana Robertovna , Namsaraeva Valentina Tsydendambaevna
Published: November 2020

The subject of this research is the criteria for the effectiveness of social reportage. The goal of this work consists in development of an algorithm for assessing social journalism materials. The article examines the concepts of “effectiveness” and “social TV reportage”, as well as the key criteria for assessing social live broadcast on regional television. Quality assessment criteria for live TV broadcast include the following: topic selection, choice of interlocutors and locations; staginess (content of questions, their wording, composition of reportage), work on camera (freedom of behavior of the reporter; language and style of presentation: speech technique, speech culture, sense of screen time). The criteria for the effectiveness of social live television broadcast include solution of the discussed problem ; a promise given by the parties responsible for its solution; a promise to think the problem over; full or partial admission of the problem by the competent persons; rejection of the fact that the problem exists. An attempt to develop the algorithm for assessing social live television broadcasts and its testing would allow improving forms of presentation of the materials and increasing the interest of mass media target audience, which defines the scientific novelty and relevance of this work. The research consists of several stages: the first stage is an attempt to develop the algorithm for assessing effectiveness of social live television broadcasting; the second stage marks their classification by the type social problems; the last stage implies analysis of the quality of social reportage. Conclusions are formulated on the algorithm for analysis of social live television broadcasts.
Trends in modern theatrical interpretation of A. P. Chekhov's play “Uncle Vanya”
Authors: Gavrilova Natalia
Published: November 2020

This article is dedicated to the analysis of trends in interpretation of A. P. Chekhov's play “Uncle Vanya” in modern theater. The subject of this research is the four theatrical productions of the play on the national stage: by Rimas Tuminas in Vakhtangov Theatre (2009), by Andrei Serban in Alexandrinsky Theater (2009), by Andrei Konchalovsky in Mossovet State Academic Theatre (2009) by Stéphane Braunschweig in the State Theatre of Nations (2019). These productions reflect the eternal existential questions raised in A. P. Chekhov’s play, as well as the relevant transformations in modern perception of the play. Examination of the aforementioned productions, as well as their analysis in the context of Chekhov's play and modern life realities in comparison with such in the XIX century, has not previously become a separate object of research. The scientific novelty consists in comprehension of the message delivered by play written in the late XIX century for the XXI century, as well as in determination of problems relevant to a contemporary person that are raised in the play. Using the meaning-making topics of the play, stage directors imply death of kindness, deterioration of nature and human, human disunity and misunderstanding. Therefore, the play “Uncle Vanya” indicates its timeliness and everlasting lifelikeness for the XXI century.
Reforming the Role of the African Commission on Human and Peoples’ Rights in Advancing Democratic Principles and Human Rights in African Countries: An Examination Using the Lens of Swaziland/ eSwatini
Authors: Sarkin Jeremy
Published: November 2020

This article explores the role of the African Commission on Human and Peoples’ Rights and the role it plays regarding human rights in individual country situations in Africa. It specifically examines the extent to which it has been able to advance a human rights agenda in countries with long-standing human rights problems. The article uses Swaziland/ eSwatini as a lens to examine the matter, because of the longstanding problems that exist in that country. This is done to indicate how the institution works over time on a country’s human rights problems. The article examines a range of institutional structural matters to establish how these issues affect the role of the Commission in its work. The article examines the way in which the Commission uses its various tools, including its communications, the state reporting processes, fact-finding visits, and resolutions, to determine whether those tools are being used effectively. The article examines how the Commission’s processes issues also affect it work. Issues examined negatively affecting the Commission are examined, including problems with the status of its resolutions and communications, limited compliance with its outcomes, and inadequate state cooperation. Reforms necessary to enhance to role and functions of the Commission are surveyed to determine how the institution could become more effective. The African Union’s (AU|) Kagame Report on AU reform is briefly reviewed to examine the limited view and focus of AU reform processes and why AU reform ought to focus on enhancing human rights compliance. The article makes various suggestions on necessary institutional reforms but also as far as the African Commission’s procedures and methods of work to allow it to have a far more effective role in the promotion and protection of human rights on the continent. It is noted that political will by the AU and African states is the largest obstacle to giving the Commission the necessary independence, support and assistance that it needs to play the role in Africa that it should.
A Note on Mandela v Executors, Estate Nelson Mandela 2018 (4) SA 86 (SCA) and the Conundrum around the Customary Marriage between Nelson and Winnie Mandela
Authors: Nkosi Sipho Stephen
Published: November 2020

The note is about the appeal lodged by the late Mrs Winnie Madikizela-Mandela to the SCA against the decision of the Eastern Cape High Court, Mthatha, dismissing her application for review in 2014. In that application, she sought to have reviewed the decision of the Minister of Land Affairs, to transfer the now extended and renovated Qunu property to Mr Mandela and to register it in his name. Because her application was out of time, she also applied for condonation of her delay in making the application. The court a quo dismissed both applications with costs, holding that there had been an undue delay on her part. Mrs Mandela then approached the Supreme Court of Appeal, for special leave to appeal the decision of the court a quo. Two questions fell for decision by the SCA: whether there was an unreasonable and undue delay on Mrs Mandela’s part in instituting review proceedings; and whether the order for costs was appropriate in the circumstances of the case. The SCA held that there was indeed an unreasonable delay (of seventeen years). Shongwe AP (with Swain, Mathopo JJA, Mokgothloa and Rodgers AJJA concurring) held that the fact that there had been an undue delay does not necessarily mean that an order for costs should, of necessity, particularly where, as in this case, the other litigant is the state. It is the writer’s view that two other ancillary points needed to be raised by counsel and pronounced on by the Court: (a) the lawfulness and regularity of the transfer of the Qunu property to Mr Mandela; and (b) Mrs Mandela’s status as a customary-law widow—in relation to Mr Mandela.
Piloting a Legal Perspective on Community Protests and the Pursuit of Safe(r) Cities in South Africa
Authors: Stoffels Myrone , Du Plessis Anel
Published: November 2020

This article considers the right to protest and pilots an initial legal response to the phenomenon of community protest against the global policy ideal of a safe urban space, determined in Sustainable Development Goals (SDGs) 11 and 16. First, there is a discussion about the global desire for safe(r) cities and the threats to such safety. Second, the causes and effects of community protest and the politics of urban space are considered. Third, there is a discussion of the City of Cape Town’s safety profile and the occurrence of community protests as an illustration of the conceptual frameworks in parts one and two. The authors conclude with some observations on the notion of safe cities and communities as embodied in SDGs 11 and 16, and reflect in brief on a future research agenda from the perspective of law.
Finding Juridical Dispositions Germane to the Interpretative Context to be Attributed to ‘Reasonably’ under Section 4 of the Companies Act 71 of 2008
Authors: Bidie Simphiwe
Published: November 2020

This article takes the view that the inclusion of the term ‘reasonably’ under s 4 of the Companies Act 71 of 2008 has profound foundational importance. It satisfies an important constitutional mandate embodied in s 1(c) of the Constitution, 1996: that the principle of legality be observed in all decision-making. Because of this requirement, the actions of a company director are required to be scrutinised in the light of the Constitution. This may mean that the courts must determine decisions made by directors having regard for the country’s overall constitutional and economic objectives. Therefore, the inclusion of the term seems to be a validation, because the Constitutional Court has held in many cases that the principle of legality is fundamental to the South African constitutional legal order, as required by section 1(c) of the Constitution, 1996. Practically, as vanguards of the constitutional principles, the courts would be expected to infuse the principle of legality into their interpretative duties in order to instil in the company-law sphere an environment that will foster compliance with the Bill of Rights and ensure predictability and certainty. This article pertains specially to circumstances where a board of directors has erred in law by misdirecting itself or by falling short when considering and/or interpreting ‘reasonable circumstances’. This is particularly necessary since the legal meaning the Act contemplates by including the term ‘reasonably’ in s 4 requires urgent examination before directors proceed to distribute company money or property.
Біологічна безпека та біологічний захист держави як складові національної безпеки України
Authors: Гущук Ігор , Гончарук Яна , Величко Микола , Романов Микола
Published: November 2020

Для студентів факультету політико-інформаційного менеджменту спеціальностей «Національна безпека» та «Громадське здоров’я»
Прикладна акмеологія для тих, хто прагне успіху
Authors: Гандзілевська Галина , Штурхецький Сергій
Published: November 2020

Навчальний посібник призначений насамперед для слухачів навчальних дисциплін «Психологія життєуспіху», «Прикладна акмеологія», «Журналістика», зокрема, студентів спеціальності «013 Психологія», «053 Початкова освіта», «061 Журналістика», а також для тих, кому цікава проблема досягнення професійного успіху в акмеперіоді. На прикладі соціокультурної адаптації мігрантів запропоновано акмеологічну модель реалізації життєвого сценарію. Особливу увагу у посібнику приділено феномену «професійний сценарій», вивченню чинників процесу відновлення та примноження його акмеологічних ресурсів. Навчальний посібник пропонує для майбутніх вчителів початкової школи інформаційний ресурс щодо шляхів досягнення професійного успіху, а для майбутніх психологів – практичний інструментарій акмеолога. Майбутні журналісти, окрім кращого розуміння героїв/героїнь своїх публікацій, планування власної кар’єри, зможуть розвинути таку з компетенцій, як здатність до адаптації та дії в новій ситуації. Запропоновано форми, методи й засоби психолого-акмеологічного супроводу вчителя початкової школи у час реформ. Разом з тим посібник буде корисним для всіх, хто прагне досягати вершинного успіху в усіх життєвих сферах. Посібник побудовано у формі інтерв’ю Сергія Штурхецького у Галини Гандзілевської. Містить інтерв’ю з Г.Гандзілевською на радіопередачі «Теорія всього» (ведучі Д. Шевчук, В. Лебедюк); використано результати докторської дисертації Г. Гандзілевської на тему: «Психологія життєвих сценаріїв у акмеперіоді українських емігрантів», її роздуми на сторінці в мережі Facebook «Життєві сценарії: теорія і практика».
ANALISIS PENGARUH HEDONISME, RELIGIUSITAS, MOTIVASI, DAN PROMOSI TERHADAP KEPUTUSAN MENABUNG PADA BANK SYARIAH (STUDI KASUS PADA PT BANK BRI SYARIAH, TBK KANTOR CABANG PEMBANTU MAJAPAHIT SEMARANG)
Authors: Rokhmania Nurmaeni  , Siti Hasanah  , Mustika Widowati
Published: November 2020

Penelitian ini bertujuan untuk menganalisis dan mendapatkan bukti empiris mengenai pengaruh hedonisme, religiusitas, motivasi, dan promosi terhadap keputusan menabung pada bank syariah (studi kasus pada PT Bank BRI Syariah, Tbk Kantor Cabang Pembantu Majapahit Semarang) baik secara simultan maupun parsial. Data yang digunakan dalam penelitian ini adalah data primer yang dikumpulkan menggunakan kuesioner. Populasi dalam penelitian ini adalah seluruh nasabah tabungan pada PT Bank BRI Syariah, Tbk KCP Majapahit Semarang. Sampel dalam penelitian ini berjumlah 110 nasabah tabungan PT Bank BRI Syariah, Tbk KCP Majapahit Semarang. Teknik pengambilan sampel yang digunakan adalah accidental sampling. Model analisis data menggunakan model analisis regresi linier berganda. Sedangkan teknik analisis data menggunakan menggunakan uji statistik F, uji koefisien determinasi (R2), dan uji statistik t. Hasil pembuktian hipotesis dan pembahasan menunjukkan bahwa (1) hedonisme, religiusitas, motivasi, dan promosi secara simultan berpengaruh signifikan terhadap keputusan menabung. (2) Hedonisme secara parsial tidak berpengaruh signifikan terhadap keputusan menabung. (3) Religiusitas secara parsial berpengaruh signifikan terhadap keputusan menabung. (4) Motivasi secara parsial berpengaruh signifikan terhadap keputusan menabung. (5) Promosi secara parsial berpengaruh signifikan terhadap keputusan menabung.
Target2drug : A Novel Programmatic Workflow to Automate in Silico Drug Discovery
Authors: Geoffrey A S Ben , Madaj Rafal , Sanker Akhil , Valluri Pavan Preetham , Gracia Judith , Singh Harshmeet
Published: November 2020

As the Big Data and Artificial Intelligence (AI) revolution continues to affect every area of our lives, it’s influence is also exerted in the areas of bioinformatics, computational biology and drug discovery. Machine/Deep Learning tools have been developed to predict compounds-drug target interactions and the vice-versa process of predicting target interactions for an compound. In our presented work, we report a programmatic tool, which incorporates many features of the bioinformatics, computational biology and AI-driven drug discovery revolutions into a single workflow assembly. When a user is required to identify drugs against a new drug target, the user provides target signatures in the form of amino acid sequence of the target or it’s corresponding nucleotide sequence as input to the tool and the tool carries out a BLAST protocol to identify known protein drug targets that are similar to the new target submitted by the user and collects data linked to the target involving, active compounds against the target, the activity value and molecular descriptors of active compounds to perform QSAR modelling and to generate drug leads with predictions from the validated QSAR model. The tool performs an In-Silico modelling to generate In-Silico interaction profiles of compounds generated as drug leads and the target and stores the results in the working folder of the user. To demonstrate the use of the tool, we have carried out a demonstration with the target signatures of the current pandemic causing virus, SARS-CoV 2. However the tool can be used against any target and is expected to help in growing our knowledge graph of targets and interacting compounds.
Red-to-Blue Photon Upconversion Enabled by One Dimensional CdTe Nanorods
Authors: VanOrman Zachary A. , Conti III Carl R. , Strouse Geoffrey F. , Nienhaus Lea
Published: November 2020

Photon upconversion via triplet-triplet annihilation creating light in the high energy regime of the visible spectrum could prove particularly useful in applications such as photocatalysis. Quantum-confined semiconductor nanocrystals have previously been shown to function as efficient triplet sensitizers in green-to-blue upconversion schemes, but an improvement in the apparent anti-Stokes shift of the upconversion scheme will be beneficial for future commercial applications. Additionally, both zero- and two-dimensional quantum-confined sensitizers have been investigated, but not one-dimensional nanomaterials. In this work, we fill a hole in the present field of photon upconversion by accomplishing both of these feats. Specifically, we introduce CdTe nanorods as a new class of triplet sensitizers for red-to-blue photon upconversion. When the triplet transmitter ligand (9-anthracenecarboxylic acid) and triplet annihilator (9,10-diphenylanthracene) are added to the nanorods, we observe efficient photon upconversion at a normalized upconversion efficiency of huc = 4.3% and a low threshold power of Ith = 93 mW/cm2. The introduction of one-dimensional triplet sensitizers could yield future research that effectively harnesses the unique properties of these materials allowing for new approaches for efficient photon upconversion, especially at large apparent anti-Stokes shifts.
Machine Learning and High-Throughput Robust Design of P3HT-CNT Composite Thin Films for High Electrical Conductivity
Authors: Bash Daniil , Cai Yongqiang , Vijila Chellappan , Wong Swee Liang , Xu Yang , Kumar Pawan , Tan Jin Da , Abutaha Anas , Cheng Jayce Jian Wei , Lim Yee Fun , Tian Isaac Parker Siyu , Ren Zekun , Wong Wai Kuan , Mekki-Berrada Flore , Kumar Jatin Nitin , Khan Saif , Li Qianxiao , Buonassisi Tonio , Hippalgaonkar Kedar
Published: November 2020

Combining high-throughput experiments with machine learning allows quick optimization of parameter spaces towards achieving target properties. In this study, we demonstrate that machine learning, combined with multi-labeled datasets, can additionally be used for scientific understanding and hypothesis testing. We introduce an automated flow system with high-throughput drop-casting for thin film preparation, followed by fast characterization of optical and electrical properties, with the capability to complete one cycle of learning of fully labeled ~160 samples in a single day. We combine regio-regular poly-3-hexylthiophene with various carbon nanotubes to achieve electrical conductivities as high as 1200 S/cm. Interestingly, a non-intuitive local optimum emerges when 10% of double-walled carbon nanotubes are added with long single wall carbon nanotubes, where the conductivity is seen to be as high as 700 S/cm, which we subsequently explain with high fidelity optical characterization. Employing dataset resampling strategies and graph-based regressions allows us to account for experimental cost and uncertainty estimation of correlated multi-outputs, and supports the proving of the hypothesis linking charge delocalization to electrical conductivity. We therefore present a robust machine-learning driven high-throughput experimental scheme that can be applied to optimize and understand properties of composites, or hybrid organic-inorganic materials.
Virtual Screening of FDA Approved Drugs Against Nsp15 Endoribonuclease from SARS CoV-2
Authors: Shaik Althaf , Natarajan Nalini , Kirubakaran Sivapriya , Thiruvenkatam Vijay
Published: November 2020

This manuscript shows a detailed computational approach of carefully curated drugs that can potentially act against Nsp15, an endoribonuclease necessary for SARS-CoV2 multiplication. In our work, we have considered maximum resources available on Nsp15 including the recent crystal structure solution of the protein. Owing to the increase in demand for a cure for COVID-19, we have attempted to virtually screen an important target of SARS-CoV2 using the pre-existing FDA approved drugs. The main advantage of our work is our multi-step approach in validating our hits. We have performed initial High Throughput Virtual Screening (HTVS) of 2910 drugs. The top 20 hits were subjected to rigorous molecular docking and molecular dynamics simulations yielding a final number of 5 potential hits. In this global emergency, we have made a humble yet critical attempt by undertaking this work; we hope that our work once published may be of help in carrying out appropriate wet-lab work. We declare that this manuscript is original, has not been published before and is not currently being considered for publication elsewhere."
Modeling Molecules Under Pressure with Gaussian Potentials
Authors: Scheurer Maximilian , Dreuw Andreas , Epifanovsky Evgeny , Head-Gordon Martin , Stauch Tim
Published: November 2020

The computational modeling of molecules under high pressure is a growing research area that augments experimental high-pressure chemistry. Here, a new electronic structure method for modeling atoms and molecules under pressure, the Gaussians On Surace Tesserae Simulate HYdrostatic Pressure (GOSTSHYP) approach, is introduced. In this method, a set of Gaussian potentials is distributed evenly on the van der Waals surface of the investigated chemical system, leading to a compression of the electron density and the atomic scaffold. Since no parameters other than the pressure need to be specified, GOSTSHYP allows straightforward geometry optimizations and ab initio Molecular Dynamics simulations of chemical systems under pressure for non-expert users. Calculated energies, bond lengths and dipole moments under pressure fall within the range of established computational methods for high-pressure chemistry. A Diels-Alder reaction and the cyclotrimerization of acetylene showcase the ability of GOSTSHYP to model pressure-induced chemical reactions. The connection to mechanochemistry is pointed out.
A Modular, Argon-Driven Flow Platform for Natural Product Synthesis and Late-Stage Transformations
Authors: Kleoff Merlin , Schwan Johannes , Christmann Mathias , Heretsch Philipp
Published: November 2020

A modular flow platform for the synthesis of natural products and their analogs was designed. To access different reaction setups with a maximum of flexibility, interchangeable 3D-printed components serve as backbone. By switching from conventional liquid- to gas-driven flow, reagent and solvent waste is minimized which translates into an advantageous sustainability and economy profile. To enable inert conditions, practical “Schlenk-in-flow” techniques for the safe handling of oxygen- and moisture sensitive reagents were developed. Adopting these techniques, reproducible transformations in natural product synthesis were achieved.
Vibrational Excitation Initiates Biomimetic Charge-Coupled Motions in the Electronic Ground State
Authors: Chatterjee Gourab , Jha Ajay , Blanco-Gonzalez Alejandro , Tiwari Vandana , Manathunga Madushanka , Duan Hong-Guang , Tellkamp Friedjof , Prokhorenko Valentyn I. , Ferré Nicolas , Dasgupta Jyotishman , Olivucci Massimo , Miller R. J. Dwayne
Published: November 2020

The concerted interplay between reactive nuclear and electronic motions in molecules actuates chemistry. Manipulating reaction pathways to achieve product selectivity via precise control of light-molecule interactions has allured chemists for decades. Yet it remains an elusive challenge in the electronic ground state, where conventional thermally-driven chemistry occurs. Here, we demonstrate that ground-state vibrational excitation of localised bridge modes initiates charge transfer in a donor-bridge-acceptor molecule in solution. The vibrationally-induced change in the ground-state electronic configuration is visualised by transient absorption spectroscopy, involving a mid-infrared pump and a visible probe, and detailed ab initio molecular dynamics simulations. Mapping the potential energy landscape unravels a hitherto undocumented charge-transfer-assisted double-bond isomerization channel in the electronic ground state. The reaction pathway bears remarkable parallels with the thermal isomerization process in rhodopsin, the retinal protein responsible for scotopic vision. Our results illustrate a generic protocol for activating key vibrational modes to drive photo-triggered ground-state reactions and motivate synthetic and catalytic strategies to achieving potentially new chemistry.
Double-Helix Supramolecular Nanofibers Assembled from Negatively Curved Nanographenes
Authors: Kato Kenta , Takaba Kiyofumi , Maki-Yonekura Saori , Mitoma Nobuhiko , Nakanishi Yusuke , Nishihara Taishi , Hatakeyama Taito , Kawada Takuma , Hijikata Yuh , Pirillo Jenny , Scott Lawrence T. , Yonekura Koji , Segawa Yasutomo , Itami Kenichiro
Published: November 2020

The layered structures of graphite and related nanographene molecules play key roles in their physical and electronic functions. However, the stacking modes of negatively curved nanographenes remains unclear, owing to the lack of suitable nanographene molecules. Herein we report the synthesis and one-dimensional supramolecular self-assembly of negatively curved nanographenes without any assembly-assisting substituents. This curved nanographene self-assembles in various organic solvents and acts as an efficient gelator. The formation of nanofibers was confirmed by microscopic measurements, and an unprecedented double-helix assembly by continuous π-π stacking was uncovered by three-dimensional electron crystallography. This work not only reports the discovery of an all-sp2-carbon supramolecular π-organogelator with negative curvature, but also demonstrates the power of three-dimensional electron crystallography for the structural determination of submicrometer-sized molecular alignment.
Salt Dependent Mesoscopic Model for RNA with Multiple Strand Concentrations
Authors: Ferreira Izabela , Dias Amarante Tauanne , Weber Gerald
Published: November 2020

Mesoscopic models can be used for the description of the thermodynamic properties of RNA duplexes. With the use of experimental melting temperatures, its parametrization can provide important insights into its hydrogen bonds and stacking interactions as has been done for high sodium concentrations. However, the RNA parametrization for lower salt concentrations is still missing due to the limited amount of published melting temperature data. While the Peyrard-Bishop (PB) parametrization was found to be largely independent of strand concentrations, it requires that all temperatures are provided at the same strand concentrations. Here we adapted the PB model to handle multiple strand concentrations and in this way we were able to make use of an experimental set of temperatures to model the hydrogen bond and stacking interactions at low and intermediate sodium concentrations. For the parametrizations we make a distinction between terminal and internal base pairs, and the resulting potentials were qualitatively similar as we obtained previously for DNA. The main difference from DNA parameters, was the Morse potentials at low sodium concentrations for terminal r(AU) which is stronger than d(AT), suggesting higher hydrogen bond strength.
Total Synthesis and Chemoproteomics Connect Curcusone Diterpenes with Oncogenic Protein BRAT1
Authors: Cui Chengsen , Dwyer Brendan G. , Liu Chang , Abegg Daniel , Cai Zhongjian , Hoch Dominic , Yin Xianglin , Qiu Nan , Liu Jieqing , Adibekian Alexander , Dai Mingji
Published: November 2020

Natural products are an indispensable source of lifesaving medicine, but natural product-based drug discovery often suffers from scarce natural supply and unknown mode of action. The study and development of anticancer curcusone diterpenes fall into such a dilemma. Meanwhile, many biologically-validated disease targets are considered “undruggable” due to the lack of enzymatic activity and/or predicted small molecule binding sites. The oncogenic BRCA1-associated ATM activator 1 (BRAT1) belongs to such an “undruggable” category. Here, we report our synthetic and chemoproteomics studies of the curcusone diterpenes that culminate in an efficient total synthesis and the identification of BRAT1 as a cellular target. We demonstrate for the first time that BRAT1 can be inhibited by a small molecule (curcusone D), resulting in impaired DNA damage response, reduced cancer cell migration, potentiated activity of the DNA damaging drug etoposide, and other phenotypes similar to BRAT1 knockdown.
MODERN TRENDS OF INTERNATIONAL TOURISM
Authors: Яковлева Светлана Ивановна
Published: November 2020

Цель исследования - выявление основных современных особенностей туризма. Это глобальные тренды туризма, характеристика современного туриста, принципы и новые условия развития туриндустрии. Изучение и мониторинг кардинальных изменений в туризме - актуальная тема междисциплинарных исследований и стратегических разработок.

The purpose of the study is to identify the main modern features of tourism. These are global tourism trends, a characteristic of a modern tourist, principles and new conditions for the development of the tourism industry. The study and monitoring of cardinal changes in tourism is a hot topic of interdisciplinary research and strategic development.
SETTLEMENTS AND TOURISM IN NATURE CONSERVATION AREAS
Authors: Котова Екатерина Сергеевна , Сергеева Маргарита Сергеевна , Яковлева Светлана Ивановна
Published: November 2020

Цель исследования - выявление особенностей расселения (сети населённых пунктов) и организации заповедного туризма на природоохранных территориях. Туризм в заповедниках и национальных парках - популярная тема междисциплинарных исследований и стратегических разработок, а также актуальный вопрос туристскорекреационного природопользования. Географический анализ особенностей расселения природоохранных территорий - актуальная, но слабо изученная тема.

The purpose of the study is to identify the features of resettlement (a network of settlements) and the organization of tourism in nature conservation territories. Tourism in nature reserves and national parks is a popular topic of interdisciplinary research and strategic planning, as well as an urgent issue of tourist-recreational nature management. A geographical analysis of the features of the settlement of nature conservation areas is an urgent, but poorly studied topic.
ASSESSMENT OF THE ZOOBENTHOS STATUS OF THE IVANKOVO RESERVOIR WITH THE AIM OF BIOMONITORING THE AQUATIC ENVIRONMENT
Authors: Федорова Людмила Парамоновна
Published: November 2020

В статье обобщены материалы двухлетнего исследования сообщества зообентоса в Иваньковском водохранилище. Дана оценка степени загрязнения придонного слоя воды.

The article summarizes the materials of a two-year study of the zoobenthos community.
DEVELOPMENT OF A UNIFIED LAYOUT OF THE MUNICIPAL GEOINFORMATION SYSTEM FOR RATIONAL USE OF LAND RESOURCES
Authors: Лазарев Олег Евгеньевич , Головин Павел Николаевич , Лазарева Оксана Сергеевна
Published: November 2020

В статье рассмотрен процесс создания унифицированного макета муниципальной геоинформационной системы в целях повышения рациональности использования земельных ресурсов, а также возможности её применения в сфере управления земельными ресурсами региона. Посредством использования функционала муниципальной геоинформационной системы, а также визуализации земельной информации, осуществления оценки распределения и разграничения земельных участков, становится возможным повышение качества контроля и надзора за состоянием и использованием земель.

The article considers the process of creating a unified layout of the municipal geographic information system in order to improve the rational use of land resources, as well as the possibility of its application in the field of land management in the region. By using the functionality of the municipal geoinformation system, as well as visualizing land information, evaluating the distribution and delineation of land plots, it becomes possible to improve the quality of control and supervision over the condition and use of land.
ECOLOGICAL AND GEOCHEMICAL ANALYSIS STATE OF THE NATURAL ENVIRONMENT OF THE TVER REGION
Authors: Тихомиров Олег Алексеевич
Published: November 2020

Приводится эколого-геохимический анализ состояния природной среды Тверской области. Рассматриваются природные условия и геохимия ландшафтов. Анализируются основные источники загрязняющих веществ, оценивается геохимическая трансформация городской среды. Дается характеристика концентраций основных макро- и микрополлютантов в компонентах природы региона. Выявляются основные закономерности распределения загрязняющих веществ в компонентах природной среды.

Ecological and geochemical analysis of the natural environment of the Tver region is given. Natural conditions and Geochemistry of landscapes are considered. The main sources of pollutants are analyzed, the geochemical transformation of the urban environment is estimated. The characteristic of the concentrations of the main macro-and micro-pollutants in the components of the nature of the region is given. The main regularities of the distribution of pollutants in the components of the natural environment are revealed.
POSSIBILITY OF PECTIN APPLICATION FOR THE DEVELOPMENT OF SUZUKI REACTION CATALYSTS
Authors: Рассказова Полина Михайловна , Никошвили Линда Жановна
Published: November 2020

Работа посвящена синтезу Pd-содержащих катализаторов на основе пектина и исследованию их каталитических свойств в реакции кросс-сочетания Сузуки. Была синтезирована серия катализаторов на основе пектина при варьировании способа осаждения металла. Катализаторы были протестированы в реакции кросс-сочетания между 4-броманизолом и фенилбороновой кислотой в периодическом режиме при атмосферном давлении в смеси этанола и воды с использованием NaCO в качестве основания. Показано, что наибольшей активностью обладает катализатор Pd/(пектин-AlO), в ходе приготовления которого палладий наносился на модифицированный пектином оксид алюминия (конверсия 4-броманизола за 3 ч составила 90%).

This work is devoted to the synthesis of Pd-containing catalysts based on pectin and study of their catalytic properties in the Suzuki cross-coupling reaction. A series of catalysts based on pectin was synthesized by varying the method of metal deposition. The catalysts were tested in cross-coupling reaction between 4-bromanisole and phenylboronic acid in a batch mode at ambient pressure in ethanol-water mixture using NaCO as a base. It was shown that the catalyst Pd/(pectin-AlO), which was synthesized via deposition of palladium on pectin-modified alumina, revealed highest activity (conversion of 4-bromanisole for 3 h of reaction reached 90%).
KINETIC STUDY OF CARBOXYLIC GROUP HYDROGENATION OF FATTY ACIDS
Authors: Монжаренко Маргарита Александровна , Степачёва Антонина Анатольевна , Сульман Эсфирь Михайловна
Published: November 2020

Работа посвящена кинетическому исследованию селективного восстановления карбоксильной группы стеариновой кислоты, выбранной в качестве модельного соединения, с целью получения стеарилового спирта. В качестве катализатора был выбран 1%Pd/MN-270 - палладий, нанесенный на полимерную матрицу сверхсшитого полистирола гидротермальным методом. Проведено исследование влияния температуры, парциального давления водорода, концентрации субстрата, скорости перемешивания на скорость процесса гидрирования карбоксильной группы стеариновой кислоты, а также на селективность образования целевого продукта - стеарилового спирта.

This work is devoted to the kinetic study of the selective reduction of carboxylic groups of stearic acid chosen as a model compound in order to obtain stearyl alcohol. 1%Pd/MN-270 palladium deposited on the polymeric matrix of hypercrosslinked polystyrene by hydrothermal method was chosen as a catalyst. The study of the influence of temperature, hydrogen partial pressure, substrate concentration, mixing rate on the hydrogenation reaction rate and the selectivity of the formation of target product was performed.
ENTHALPY OF FORMATION OF ALDEHYDES. NUMERICAL CALCULATIONS AND MAIN REGULARITIES
Authors: Виноградова Марина Геннадьевна , Серёгин Эдуард Александрович
Published: November 2020

Выведены рабочие формулы. Приведены численные расчеты энтальпии образования альдегидов. Сделаны предсказания. Результаты расчетов согласуются с экспериментом. Выявлены определенные закономерности.

Working formulas are derived. Numerical calculations of the enthalpy of aldehydes formation are presented. The predictions are done. The results of the calculations are consistent with the experiment. Certain regularities have been identified.
FRICTION ANGLE OF POLISHED SURFACES OF SANDSTONE AND CONGLOMERATE FROM THE SEMANGGOL FORMATION, BERIS DAM, KEDAH DARUL AMAN
Authors: Raj J. K.
Published: November 2020

The Beris Dam is founded on a sequence of thick bedded to massive conglomerate and gritstone with some sandstone and mudstone, mapped as the Semanggol Formation of Triassic age. Portable shear box tests on polished surfaces of a sandstone, and a conglomerate, core yield friction angles of 18.0o and 20.8o, respectively. These friction angles are comparable with residual friction angles of between 17.5o and 19.0o determined in field and laboratory tests on sheared mudstone surfaces of the Semanggol Formation at the Muda Dam. Apparent cohesion values determined in the portable shear box tests result from the restricted normal displacement test conditions and should not be considered in shear strength calculations.
THE STREAM-LENGTH GRADIENT INDEX AND THE CORRESPONDING LANDFORM STRUCTURES OVER THE KIULU RIVER, NORTHWEST SABAH
Authors: Kiat Chung Wei , Tongkul Felix
Published: November 2020

In this paper, we explored the relationship between the stream-length gradient index over the Kiulu River upstream and its respective landform. The knickpoints derived from stream-length gradient index detected sudden drop in elevation that may be associated with recent tectonic activity over NW Sabah. To illustrate the changes in the stream profile, two knickpoints, F1 which coincided with historical earthquakes, and F2 which showed peak anomaly are selected. The landform over knickpoint F1 showed river diversions whereas the landform over knickpoint F2 showed deep ponding. Both field sites, however showed consistent alternation between rapids and ponding forming a step-like landform where the inferred normal fault is oriented at N40E. The stretched landform over the Kiulu river sites supports an extension setting that may be associated with gravity-sliding tectonics over NW Sabah.
基于无人机技术的工程土方量计算
Authors: 肖 永东 , 朱 劲松
Published: November 2020

进行地表改造的工程建设都会涉及土石方量的计算工作，而土石方量测绘及计算的速度和精度质量又直接影响着工程建设的进度及成本控制。论文通过使用多旋翼无人机摄影航测计算的方法实现了工程建设两期间土方量的快速、高效及高精度计算，能够有效解决传统方法中的不足，其计算具有较好的可视化效果，结果稳定且可靠。
水利工程管理运作过程中存在的问题及改革措施
Authors: 田 强
Published: November 2020

水利工程属于中国的民生工程项目之一，因此该工程项目本身的建设质量好坏以及管理水平高低会影响到国民经济的发展。为此，在水利工程管理运作过程中，需要对工程安全性以及工程质量提升进行严格管理，管理部门需要加大管理力度。但在实际管理工作中仍然存在一些问题，对水利工程发展产生制约作用。因此，论文对现如今水利工程管理运作工作现状进行分析，并提出相关改革措施，对水利工程管理运作质量进行提升。
工程测绘的质量管理策略分析
Authors: 王 永飞
Published: November 2020

在工程项目建设阶段，均需要进行合理的测绘，其提供的数据信息关系到项目建设的整体质量，同时也与项目单位的效益存在着密切关联。在社会经济稳步发展的今天，国家的建筑行业呈现出蓬勃发展的态势，人们对工程测绘提出了更为严格的要求。论文分析了工程测绘的质量管理策略，为广大的测绘人员提供有效的参考，使其积极的应对测绘中的各种问题，采取合理的应对方案。
信息技术在中国昆明七水厂应急供水工程中的应用探讨
Authors: 张 凯 , 罗 月胜 , 田 普卓
Published: November 2020

论文主要分析了360 度全景监控技术、3D 动画模拟施工工艺及自主开发EPC 项目管理系统等最新信息技术在中国昆明七水厂应急供水工程中的应用，详细介绍了三项技术的基本原理及在工程管理中应用的优越性，最后提出了这三项信息技术后续需继续优化改进的方向。
基于无线通信的多卡尺数据采集系统上位机设计
Authors: 曹 明瑞 , 丁 嘉辉 , 王 子良 , 唐 大卫 , 刘 玲 , 刘 白雪
Published: November 2020

针对LabVIEW 及stm32 单片机构成了多卡尺数据采集系统设计，分为上位机和下位机两个主要模块，为了实现卡尺数据处理的高效率性、实时性、低误判率，论文设计了基于无线通信多卡尺的数据采集系统的上位机系统。上位机系统采用了LabVIEW 平台开发数据采集系统，采用经典的“状态机”作为主要框架，并通过LabVIEW 实现一对多通讯、比对、计算、数据分析等功能，辅助于卡尺及下位机的工作。
卫星影像在基础测绘1:10000 地形图更新中的应用微探
Authors: 黄 亚莉
Published: November 2020

在航天科技事业不断发展背景下，遥感卫星影像空间分辨率也越来越高，并被广泛应用到基础测绘当中，助力1:10000 地形图数据库更新工作更加高效和高质完成。论文联系实际案例，对卫星影像在基础测绘1:10000 地形图更新中的实践应用进行细致分析，以为类似工作开展提供参考和借鉴。
大型储罐预埋螺栓精度控制施工技术总结
Authors: 曾 经伟
Published: November 2020

工业机电储罐基础施工中不便于用定位模板安装预埋螺栓，因为安装精度不易控制。论文以中国四川鑫达5 万吨/ 年DMMn项目大型储罐预埋螺栓安装为例，探讨工程施工的重点和难点，结合施工要求探讨大型储罐预埋螺栓精度控制施工技术，旨在为同类工程提供参考。
大型设备联轴器精确找正施工方法
Authors: 詹 成
Published: November 2020

论文以实际施工案例为背景，讲述工业大型设备联轴器找正施工中使用的方法，希望在类似工程的施工中，相关施工技术能更加准确、高效地从技术价值转化为经济价值。
ACAD平扭绘图工具程序的剖析
Authors: 刘 金光
Published: November 2020

论文介绍在AutoCAD 平台下采用LISP 语言开发的应用程序“ACAD 扭转绘图工具程序的剖析”的编写思路，目的在于向从事设计的同行们推荐这个实用的程序，在设计工作中节省时间，提高工作效率，减少错误的发生
关于非洲铁路员工培训的浅识——基于非洲亚吉铁路运营维护项目
Authors: 陈 辉
Published: November 2020

违章不一定发生事故，但事故都是违章造成的。对在其他国家的铁路员工进行培训就要从规章培训入手，结合安全需要统一思想，从观念、管理、技能、执行力和落实力方面开展培训工作。员工培训是提升安全管理、业务技能、企业效益最快的一种方式。
Engaging Equity Pedagogies in Computer Science Learning Environments
Authors: Madkins Tia C. , Howard Nicol R. , Freed Natalie
Published: November 2020

In this position paper, we advocate for the use of equity-focused teaching and learning as an essential practice within computer science classrooms. We provide an overview of the theoretical underpinnings of various equity pedagogies (Banks & Banks, 1995), such as culturally relevant pedagogy (Ladson-Billings, 1995, 2006) and share how they have been utilized in CS classrooms. First, we provide a brief history of CS education and issues of equity within public schools in the United States. In sharing our definition of equity, along with our rationale for how and why these strategies can be taken up in computer science (CS) learning environments, we demonstrate how researchers and educators can shift the focus from access and achievement to social justice. After explaining the differences between the relevant theoretical frameworks, we provide practical examples from research of how both practitioners and researchers might use and/or examine equity-focused teaching practices. Resources for further learning are also included.
DEVELOPMENT OF DIGITAL ECONOMY IN UZBEKISTAN - AT THE LEVEL OF STATE POLICY
Authors:   Tashkent state university of economics of the Republic of Uzbekistan, Yaxhisyeva Mavluda , Yusupov Ravshan , Xamidov Rasul
Published: November 2020

This article highlights the digital economy and its features, its main systems, the effective use of digital technologies in economic development, and analyzes relevant aspects of training in this area