bluuebunny/crossref_metadata_2025_split huggingface dataset:
Binding repurposed drugs and aminothiourea derivatives to SARS-CoV-2 enzymes—a docking perspective
Authors: Paneth Agata , Paneth Piotr 
Published: April 2020

Abstract
Binding of over 20 approved drugs proposed for the repurposing for COVID-19 treatment and over 160 aminothioureas derivatives to SARS-CoV-2 enzymes which structures became available very recently have been evaluated using a few docking algorithms. These studies support potential effectiveness of homobarringtonine, chloroquine, rimcazole, and benserazine. From among studied aminothioureas thiadiazoles with pyrrol-derived substituents at the carbon atom, and ortho-hydroxyphenyl at the nitrogen atom are potential lead compounds for future drugs development.
Antiviral potential of phytoligands against chymotrypsin-like protease of COVID‐19 virus using molecular docking studies: An optimistic approach
Authors: Mishra Ratish Chandra , Kumari Rosy , Yadav Shivani , Yadav Jaya Parkash 
Published: April 2020

Abstract
A recent outbreak of the novel coronavirus, COVID‐19, in the city of Wuhan, Hubei province, China and its ensuing worldwide spread have resulted in lakhs of infections and thousands of deaths. As of now, there are no registered therapies for treating the contagious COVID‐19 infections, henceforth drug repositioning may provide a fast way out. In the present study, a total of thirty-five compounds including commonly used anti-viral drugs were screened against chymotrypsin-like protease (3CLpro) using SwissDock. Interaction between amino acid of targeted protein and ligands was visualized by UCSF Chimera. Docking studies revealed that the phytochemicals such as cordifolin, anisofolin A, apigenin 7-glucoside, luteolin, laballenic acid, quercetin, luteolin-4-glucoside exhibited significant binding energy with the enzyme viz. - 8.77, -8.72, -8.36, -8.35, -8.13, -8.04 and -7.87 Kcal/Mol respectively. Therefore, new lead compounds can be used for drug development against SARS‐CoV‐2 infections.
Activated persulfate by iron-based materials used for refractory organics degradation: a review
Authors: Gao Yanjiao , Champagne Pascale , Blair David , He Ouwen , Song Tiehong 
Published: April 2020

Abstract
Recently, the advanced oxidation processes (AOPs) based on sulfate radicals (SRs) for organics degradation have become the focus of water treatment research as the oxidation ability of SRs are higher than that of hydroxyl radicals (HRs). Since the AOP-SRs can effectively mineralize organics into carbon dioxide and water under the optimized operating conditions, they are used in the degradation of refractory organics such as dyes, pesticides, pharmaceuticals, and industrial additives. SRs can be produced by activating persulfate (PS) with ultraviolet, heat, ultrasound, microwave, transition metals, and carbon. The activation of PS in iron-based transition metals is widely studied because iron is an environmentally friendly and inexpensive material. This article reviews the mechanism and application of several iron-based materials, including ferrous iron (Fe2+), ferric iron (Fe3+), zero-valent iron (Fe0), nano-sized zero-valent iron (nFe0), materials-supported nFe0, and iron-containing compounds for PS activation to degrade refractory organics. In addition, the current challenges and perspectives of the practical application of PS activated by iron-based systems in wastewater treatment are analyzed and prospected.
Bloody Nipple Discharge in an Infant
Authors: Ali Nabiha , Ali Syed Rehan , Ahmed Shakeel 
Published: April 2020

:
Bloody nipple discharge (BND) is an uncommon finding in infants and is a cause of anxiety for
the parents since it can be associated with breast carcinoma in adults. Mammary duct ectasia is
the most common cause. This report describes a 9-month old boy who presented with unilateral
BND. Diagnosis of benign duct ectasia was made on ultrasound. The patient was followed and
the condition resolved spontaneously over the next two months.
Anticoagulation in Deep Venous Thrombosis: Current Trends in the Era of Non- Vitamin K Antagonists Oral Anticoagulants
Authors: Papakonstantinou Panteleimon E. , Tsioufis Costas , Konstantinidis Dimitris , Iliakis Panagiotis , Leontsinis Ioannis , Tousoulis Dimitrios 
Published: April 2020

:
Anticoagulation therapy is the cornerstone of treatment in acute vein thrombosis (DVT) and it aims to
reduce symptoms, thrombus extension, DVT recurrences, and mortality. The treatment for DVT depends on its
anatomical extent, among other factors. Anticoagulation therapy for proximal DVT is clearly recommended (at
least for 3 months), while AT for isolated distal DVT should be considered, especially in the presence of high
thromboembolic risk factors. The optimal anticoagulant and duration of therapy are determined by the clinical
assessment, taking into account the thromboembolic and bleeding risk in each patient in a case-by-case decision
making. Non-Vitamin K antagonists oral anticoagulants (NOACs) were a revolution in the anticoagulation management
of DVT. Nowadays, NOACs are considered as first-line therapy in the anticoagulation therapy for DVT
and are recommended as the preferred anticoagulant agents by most scientific societies. NOACs offer a simple
route of administration (oral agents), a rapid onset-offset of their action along with a good efficacy and safety
profile in comparison with Vitamin K Antagonists (VKAs). However, there are issues about their efficacy and
safety profile in specific populations with high thromboembolic and bleeding risks, such as renal failure patients,
active-cancer patients, and pregnant women, in which VKAs and heparins were the standard care of treatment.
Since the available data are promising for the use of NOACs in end-stage chronic kidney disease and cancer
patients, several ongoing randomized trials are currently trying to solve that issues and give evidence about the
safety and efficacy of NOACs in these populations.
Synthesis, Molecular Docking Studies and Antibacterial Activities of Novel Monocationic Indole-benzimidazole Derivatives
Authors: Ates-Alagoz Zeynep , Kisla Mehmet Murat , Goker Hakan , Yildiz Sulhiye 
Published: April 2020

Background:
Finding efficient therapy against hospital-acquired MRSA infections has become
rather important in the last decade. To this end, inhibition of the enzyme pyruvate kinase (PK) is being
investigated for antibacterial activity, since this enzyme controls energy generation and metabolic flux
distribution. Our main scaffold consists of benzimidazole and indole rings fused together. Both rings are famous
for antibacterial properties and promising anti-MRSA compounds include indole ring.

Methods:
Several 1-substituted-2-(1H-indol-3-yl)-N-substituted-1H-benzimidazole-5-carboxamidine
analogues were developed, synthesized and their antibacterial activities were evaluated
against Staphylococcus aureus (ATCC 25923), Methicillin resistant Staphylococcus aureus
(MRSA) (ATCC 43300), and Staphylococcus epidermidis (ATCC 12228) by using tube dilution
method. Molecular docking analysis with a characteristic protein called MRSA- Pyruvate Kinase
has been conducted for the assessment of the activities of our compounds against Methicillinresistant
S. aureus (MRSA).

Results:
Among all the tested compounds, the most potent compound 36 had MIC values as 3.12,
3.12 and 6.25 μg/mL against S. aureus, Methicillin-resistant S. aureus (MRSA), and S. epidermidis,
respectively. This compound had much better docking energy value than standard ampicillin
and also created the link between two residues in different monomers of PK.

Discussion:
This approach of using indol-amidine conjugate systems as anti-MRSA agents may
include MRSA-PK as potential target. To further increase the affinity, some other H-bonding parts
may be added. By doing so, another bridge with Ile361 residues on both sides can be created. Our
compounds tend to violate log P limit of Lipinski, therefore some optimizations with formulation
can be made.

Conclusion:
This study mainly includes the design, synthesis and optimization of indolebenzimidazole-
amidine derivatives. Docking studies confirmed our results, since our most potent
hit compound 36 created the necessary interactions between two chains of MRSA-PK. Further optimization
can be considered to increase drug ability.
Analysis of Russians’ Views on Personal Qualities as a Basis for Prosocial Safe Behavior Factors’ Identification
Authors: Kislyakov Pavel A. , Shmeleva Elena A. 
Published: April 2020

Background:
Currently, the research on social psychology, security psychology, professional psychology and environmental psychology indicates that prosocial behavior is a predictor or factor for ensuring security (for individuals, groups, societies, and the environment). This indicates the need to justify the category of safe prosocial behavior of individuals.

Aim:
This research focused on the identification of any psychological factor of safe prosocial behavior of an individual based on Russians’ views on personal qualities in advancing national interests and socio-cultural transformations.

Methods:
The theoretical and methodological basis of the study was the theory of social norms of pro-social behavior. To examine the Russians’ ideas of the safe prosocial behavior, we conducted empirical research, which involved 583 people. In the first stage, we formed a list of possible qualities and motives (descriptors) of the safe prosocial human behavior with the use of focus groups. In the second stage, we used a special questionnaire in order to construct a subjective semantic space of the personal safe prosocial behavior based on the semantic differential method.

Results:
Results of the factor analysis to identify factors affecting safe prosocial behavior in modern society allowed determining seven factors.

Conclusion:
The obtained data provide an understanding that the safe prosocial human behavior appears to be mainly motivated by institutional and moral norms and is characterized by resources that ensure the psychological stability and well-being of an individual. Norms of collective behavior, religious norms and norms of following national traditions seemed to be dominant in affecting the behavior of individuals.
Laparoscopic Pediatric Pyeloplasty: Trends in Regions of the Russian Federation
Authors: Bondarenko S. G. , Kagantsov I. M. , Sizonov V. V. , Akramov N. R. , Pirogov A. V. , Sablin D. E. , Surov R. V. , Baranov Yu. V. 
Published: April 2020

Introduction. The use of minimally invasive surgery of urteropelvic junction obstruction was started in the in the mid-90s of the last century. Replacement rates of open surgery and methods of the minimally invasive surgery are different in various countries. We analyzed the spread of minimally invasive technologies in some regions of the Russian Federation.Purpose of the study. To study the dynamics of replacement of open pyeloplasty with laparoscopic pyeloplasty in certain regions of the Russian FederationMaterial and methods. Available data included the annual number of laparoscopic and open pyeloplasties, patient age, complications, and medium-term results. Our analysis screened 1581 pyeloplasties, which were performed during 2004‒2018 in eight regions of the Russian Federation. The patients were separated into two groups according to age. There were 566 infants and 1015 older children. A total 908 (57.4%) laparoscopic pyeloplasty (LP) and 673 (42,6%) open pyeloplasty (OP) were performed. Of those patients who underwent laparoscopic pyeloplasty, 274 (48.4%) were infants, while 624 (61.5%) were older children. The rates of LP and OP use were then assessed according to year of surgery. A binary logistic regression model was used to evaluate the statistical significance of the rate of LP use over time, to predict postoperative complications and to compare the effectiveness of LP in comparison with OP.Results. The use of LP increased remarkably during the study period. In regions with 5 years of LP experience, LP utilization rate was significantly higher. The rate of LP in infants has been associated with increasing experience in the LP. A total, 70% of older children and 59% of infants were operated with LP in 8 regions in 2018.Conclusion. In some regions of the Russian Federation, the rate of LP is markedly increased and almost replaces open surgery. In regions where LP has been introduced over the past 5 years, the replacement rate is higher than in regions where LP was introduced before.
Global Secular Trend of Gonadal Size in Men: Review and Analysis of Publications
Authors: Seroukhov A. Yu. , Afoko A. A. , Mamaev I. E. 
Published: April 2020

Introduction. Notwithstanding the general increase in world population, there is a steady decline in birth rate. Studies have shown a tendency towards worsening of qualitative and quantitative indices of the ejaculate. From the foregoing we may also presume a decline in size of male gonads. Nevertheless, information about the tendency of change in testicular size in the population is currently unavailable.Purpose of the study. Assessment of global secular trend as regards changes in the size of testes in men.Materials and methods. A search was conducted on published scientific research in the English language and Russian language in Pubmed and eLibrary. Additional searches in citations of identifiable investigations. A selection of data from publications with metric characteristics of gonads in relatively healthy men aged 18‒60 years. The mean of values obtained were determined and homogenized with the aid of formulae for volume calculations. Statistical analysis of the data was carried out with the aid of the program STATISTICA for Windows v.10.Results. The search yielded 126 identified publications, published between 1902 and 2018. Analysis of the various works led to a selection of 33, which contained information that satisfied the inclusion criteria. Analysis of the obtained data did not reveal any trends in change of testicular size over the past century. Mean arithmetic weighted value was 17,43±5,64; 95% CI (17,32; 17,54).Conclusion. In the light of global trends towards a reduction in fertility, it is necessary to conduct a wide range of varied investigations in order to understand the nature of this process. Standardization of methods of assessment results obtained will help in reducing errors whilst assisting in the analysis of existing tendencies.
Chinese Public's Attention to the COVID-19 Epidemic on Social Media: Observational Descriptive Study
Authors: Zhao Yuxin , Cheng Sixiang , Yu Xiaoyan , Xu Huilan 
Published: April 2020

Background
Since the coronavirus disease (COVID-19) epidemic in China in December 2019, information and discussions about COVID-19 have spread rapidly on the internet and have quickly become the focus of worldwide attention, especially on social media.

Objective
This study aims to investigate and analyze the public’s attention to events related to COVID-19 in China at the beginning of the COVID-19 epidemic (December 31, 2019, to February 20, 2020) through the Sina Microblog hot search list.

Methods
We collected topics related to the COVID-19 epidemic on the Sina Microblog hot search list from December 31, 2019, to February 20, 2020, and described the trend of public attention on COVID-19 epidemic-related topics. ROST Content Mining System version 6.0 was used to analyze the collected text for word segmentation, word frequency, and sentiment analysis. We further described the hot topic keywords and sentiment trends of public attention. We used VOSviewer to implement a visual cluster analysis of hot keywords and build a social network of public opinion content.

Results
The study has four main findings. First, we analyzed the changing trend of the public’s attention to the COVID-19 epidemic, which can be divided into three stages. Second, the hot topic keywords of public attention at each stage were slightly different. Third, the emotional tendency of the public toward the COVID-19 epidemic-related hot topics changed from negative to neutral, with negative emotions weakening and positive emotions increasing as a whole. Fourth, we divided the COVID-19 topics with the most public concern into five categories: the situation of the new cases of COVID-19 and its impact, frontline reporting of the epidemic and the measures of prevention and control, expert interpretation and discussion on the source of infection, medical services on the frontline of the epidemic, and focus on the worldwide epidemic and the search for suspected cases.

Conclusions
Our study found that social media (eg, Sina Microblog) can be used to measure public attention toward public health emergencies. During the epidemic of the novel coronavirus, a large amount of information about the COVID-19 epidemic was disseminated on Sina Microblog and received widespread public attention. We have learned about the hotspots of public concern regarding the COVID-19 epidemic. These findings can help the government and health departments better communicate with the public on health and translate public health needs into practice to create targeted measures to prevent and control the spread of COVID-19.
REALISME MAGIS DI PESANTREN DARUSSALAM CIAMIS
Authors: Faruk Faruk , Dewojati Cahyaningrum , Manshur Fadil Munawwar , Anwar Asef Saeful 
Published: April 2020

AbstractNowadays magical Realism is the most popular literary genre in the world. This genre has strong influences in literature as well as fine art and film. It is for this reason that people competence in working with this genre is very important for developing Indonesian creative industry. Therefore, Magister Program for Literary Studies Faculty of Cultural Sciences Gadjah Mada University necessities to have a workshop program for investing people writing capability in this kind of genre. Target subject for the program is Darussalam Literary Community whose activities located in Islamic Boarding House (Pesantren) Darussalam, Ciamis, West Java. By using theory of Magical Realism and participatory method in three days intensive course the program found that the member of community involved in the course had strong potential capacity in literary writing. Although the first step of the program focused in training for writing in realistic literary work, there was a surprising phenomenon indicated the participant capability in writing magical realist work as well. -----------AbstrakRealisme magis merupakan genre sastra yang saat ini paling populer di dunia. Paham ini tidak hanya berpengaruh di bidang seni sastra, tetapi juga seni rupa, film, dan sebagainya. Oleh karena itu, kemampuan untuk menulis karya sastra dengan genre ini sangat penting bagi industri kreatif. Dengan alasan inilah, Program Magister Ilmu Sastra, Fakultas Ilmu Budaya UGM menganggap perlu untuk mengadakan pelatihan penulisan sastra realisme magis ini bagi masyarakat. Yang dipilih sebagai kelompok sosial sasaran adalah Komunitas Sastra Darussalam yang berlokasi di Pesantren Darussalam Ciamis. Tahap pertama program ini adalah pelatihan dasar penulisan sastra dengan genre realisme yang juga menjadi dasar dari realisme magis. Program itu dilaksanakan secara intensif selama tiga hari dengan menggunakan teori realisme magis sebagai kerangka konseptualnya dan gabungan antara ceramah, diskusi, latihan, dan partisipasi sebagai metodenya. Hasil kegiatan tersebut membuktikan bahwa peserta pelatihan yang berjumlah 15 orang mempunyai kepekaan terhadap persoalan-persoalan empiris yang ada di lingkungan pesantren dan mempunyai kemampuan dalam penulisan latar, tokoh, serta alur cerita. Meskipun program pada tahap ini difokuskan pada penulisan karya sastra yang realistis, peserta sudah memperlihatkan potensi dalam penulisan realisme magis.
Cerita “Sunan Têmbayat” sebagai Sumber Penggubahan Motif Batik Ciri Khas Desa Jarum di Kecamatan Bayat, Kabupaten Klaten
Authors: Christianto Wisma Nugraha , Wiratama Rudy 
Published: April 2020

AbstractTěmbayat, or well-known as Bayat in Klaten Regency is a region which has a rich tradition, religious and historical value according to Javanese perspective. One of its main factors is the presence of the saint Sunan Těmbayat’s graveyard site and some other shrines, supported by some folktales which have flourished there for generations. Bayat’s geographical condition which lies on the karst land on the foot of Sewu Mountain can’t make its society depend on agricultural sectors, so Bayat people nowadays are much known as entrepreneurs and craftsmen such as batik home industry. This article will show the results of “Pengabdian Kepada Masyarakat” (Social Responsibility Program) of Javanese Program of Language and Literature Department in Faculty of Cultural Sciences, Gadjah Mada University, which assisted the villagers of Jarum, Bayat county, Klaten Regency as one of prominent batik industrial centers. The main output of this program is to compose a new traditional-based batik pattern related with stories about Sunan Těmbayat or Ki Agěng Pandhanaran as a local specialty through textual and contextual approaches on both written and oral literary sources.-----------AbstrakWilayah Těmbayat atau yang lebih dikenal sebagai kecamatan Bayat di Kabupaten Klaten merupakan sebuah daerah yang kental dengan nilai tradisi, sejarah, dan religi di mata orang Jawa. Salah satu faktor pendukung dari fenomena ini adalah keberadaan situs sejarah makam Sunan Těmbayat dan beberapa petilasan lainnya di daerah ini, yang didukung dengan berbagai folklor yang meliputinya. Kondisi alam wilayah Bayat yang terdiri atas tanah kapur di kaki Pegunungan Sewu menjadikan masyarakatnya tidak dapat menggantungkan diri dari sektor pertanian sehingga orang-orang Bayat identik dengan kaum pedagang dan perajin, yang salah satunya dalam bidang industri batik yang kini bergerak menuju skala nasional. Artikel ini menguraikan hasil-hasil kegiatan Pengabdian Kepada Masyarakat Program Studi Sastra Jawa, Departemen Bahasa dan Sastra, Fakultas Ilmu Budaya, Universitas Gadjah Mada yang berbentuk pendampingan terhadap masyarakat Desa Jarum, Kecamatan Bayat, Kabupaten Klaten sebagai salah satu sentra industri batik yang menonjol. Luaran utama dari kegiatan ini adalah terciptanya sebuah pola batik bercorak tradisi terkait dengan cerita “Sunan Těmbayat” atau “Ki Agěng Pandanaran” sebagai ciri khas setempat melalui pendekatan tekstual dan kontekstual terhadap sumber-sumber kesusastraan tertulis maupun lisan.
NUMERICAL INVESTIGATION OF THE INFLUENCE OF THE DOUBLY CURVED BLADE PROFILES ON THE REVERSIBLE AXIAL FAN CHARACTERISTICS
Authors: Spasić Živan , Jovanović Miloš , Bogdanović-Jovanović Jasmina , Milanović Saša 
Published: April 2020

Abstract. In reversible axial fans a change in the direction of the impeller rotation is accompanied with a change in the direction of the working fluid flow. To satisfy the flow reversibility, the impeller blades are usually designed with straight symmetrical profiles. The flow reversibility may also be achieved by using asymmetrical blade profiles in which, to satisfy the equality of the leading and trailing angle of the profiles, the mean line of the profile has to have a double curvature in the shape of the stretched letter 'S'. The paper numerically investigates the influence of the doubly curved blade profiles on the reversible axial fan characteristics. Numerical simulations are carried out on an axial fan only with the impeller, with the blades that have double-curved mean line profiles for different values of the angles at the profile ends. For numerical simulation the ANSYS CFX software package is used. Results of the numerical simulation are shown in diagrams Δp(Q), h(Q) and P(Q) at different angles of the profile ends. On the basis of the simulation and analysis of the characteristics, appropriate conclusions are proposed, along with the most advantageous profile of the blades.