bluuebunny/crossref_metadata_2025_split huggingface dataset:
Hydroxychloroquine (HCQ) Exhibits Better Binding to the Main Protease (Mpro) Compared to Spike Protein (S protein) of SARS-CoV-2: An In-silico Analysis
Authors: Bandi Deepa R. , Tulimilli SubbaRao V. , Kumar T. Durai Ananda , Chitturi Chandi Kumari , Bettadapura Anjalidevi S. , Natraj Suma M. , Madhunapantula SubbaRao V. 
Published: December 2021

Background:
Despite various efforts in preventing and treating SARS-CoV-2 infections;
transmission and mortality have been increasing at alarming rates globally. Since its first occurrence
in Wuhan, China, in December 2019, the number of cases and deaths due to SARS-CoV-
-2 infection continues to increase across 220 countries. Currently, there are about 228 million cases
and 4.6 million deaths recorded globally. Although several vaccines/drugs have been reported to
prevent or treat SARS-CoV-2, their efficacy to protect against emerging variants and duration of
protection are not fully known. Hence, more emphasis is given to repurpose the existing pharmacological
agents to manage the infected individuals. One such agent is hydroxychloroquine (HCQ),
which is a more soluble derivative of antimalarial drug chloroquine. HCQ has been tested in clinical
trials to mitigate SARS-CoV-2 infection-induced complications while reducing the time to clinical
recovery (TTCR). However, several concerns and questions about the utility and efficacy of
HCQ for treating SARS-CoV-2 infected individuals still persist. Identifying key proteins regulated
by HCQ is likely to provide vital clues required to address these concerns.

Objective:
The objective of this study is to identify the ability of HCQ for binding to the most widely
studied molecular targets of SARS-CoV-2 viz., spike glycoprotein (S protein), and main protease
(Mpro, also referred as chymotrypsin like protease) using molecular docking approaches and
correlate the results with reported mechanisms of actions of HCQ.

Methods:
X-ray crystallographic structures of spike glycoprotein and main protease of SARSCoV-
2 were retrieved from Research Collaboratory for Structural Bioinformatics (RCSB) Protein
Data Bank (PDB). The structure of Hydroxychloroquine was retrieved from the PubChem compound
database. The binding interactions of the HCQ with target proteins were predicted using CDocker
algorithm, and visualized using Discovery studio visualizer.

Results:
Data from molecular docking studies showed very strong binding of HCQ to the main protease
compared to spike glycoprotein.

Conclusion:
The antiviral activity of HCQ is attributed to its ability to bind to the main protease
compared to surface glycoprotein. Therefore, future studies should focus more on developing a
combination agent/strategy for targeting surface glycoprotein and main protease together.
One-Pot Access to 2-oxazolines via a Castro-Stephens Coupling and Intramolecular
Cyclization
Authors: Nighot Dnyaneshwar , Rawat Varun , Jain Arvind K. , Ali Imran 
Published: December 2021

Aim:
Here, we have reported easy one-pot access to a series of oxazolines using a modified
Castro-Stephens coupling protocol.

Background:
2-oxazolines have been shown to have significant biological activity and wide-ranging
applications in organic chemistry. These properties make oxazolines as heterocyclic compounds
of immense importance.

Objective:
The objective of this study is to synthesize oxazoline derivatives via an economical and
one-pot protocol.

Method:
2-oxazoline has been synthesized through Cu-powder mediated Castro-Stephens coupling
and intramolecular cyclization route. The mechanism involves a rearrangement in which one
of the oxygen from the N-acylamino alcohol group is liberated as water and then transferred to
alkyne functionality to form 2-oxazoline derivatives. The oxazolines were characterized by NMR,
mass, and XRD studies.

Result:
The protocol is economically viable and uses readily available Cu-powder along with
DMF for cross-coupling and cyclization steps.

Conclusion:
We have reported a one-pot protocol to prepare 2-oxazolines using a Castro-Stephens
coupling and intramolecular cyclization.
The Experience of Depression Relapse among Adult Thai Patients
with Depressive Disorder: A Qualitative Study
Authors: Muijeen Kasorn , Soonthornchaiya Rangsiman , Butcher Howard K. 
Published: December 2021

Background:
Depression is an illness with widespread incidence and
has shown an annual increase, while depression relapse is also rising continually
due to multiple causes. In Thailand, although many studies have been conducted
to prevent depression incidence and relapse, there is little known about the meaning
of depression relapse in adult Thai patients. An exploration of the direct experiences
of adult Thai patients seems a suitable way to gather data for a care system
development.

Objectives:
The purpose of this study is to describe the perceptions of adult Thai
patients concerning their experience of depression relapse and its management
among adult patients with depressive disorder in the Thai context.

Methods:
This research is a qualitative study using the directed content analysis
approach. In-depth interviews with 20 adult Thai patients with depression that
had direct experience with depression relapse were the participants used in this
study. The interviews allowed the participants to talk about their experiences
with depression relapse and how they managed depressive symptoms; the interviews
lasted approximately 60 minutes.

Results:
Two themes emerged from the study. First, the experience of depression
relapse is the feeling pulled away from happiness. Second, managing depression
relapse.

Conclusion:
Depression relapse among adult Thai patients with depressive disorder
is an experience causing patients to feel that they are losing their happiness
again. Care and management of depression relapse by each patient differ, despite
being in the same social contexts. Therefore, depression relapse risk assessment
is important in the care of each patient in order to design more effective care.
Quality of Life in Family Caregivers of Patients with Schizophrenia:
A Narrative Review
Authors: Völker Jes Sebastian , Micluția Ioana Valentina 
Published: December 2021

Abstract:
Care for schizophrenia patients over the past few decades has shifted
from inpatient treatment in mental institutions towards outpatient treatment options.
While this has the potential to allow patients a more regular life with the
ability to work and socialize, it has increased the burden on family caregivers.
This state-of-the-art narrative review summarizes the most important factors, besides
the clinical symptoms of schizophrenia, that impact the quality of life of
caregivers negatively. These factors include the impact of the disease on household
income and socioeconomic status, anxiety, stigma, negative changes in family
dynamics as well as an overall reduction of social and family contacts.
Efektivitas Penerapan Pembelajaran Daring dengan Platform Google Classroom Pada Mata Pelajaran PJOK
Authors: Mahendra I Made 
Published: December 2021

Penelitian ini bertujuan untuk mengetahui efektivitas penerapan pembelajara daring dengan platform google classroom pada mata pelajaran PJOK di SMA Negeri 3 Singraja. Penelitian ini adalah penelitian deskriftif kuantitatif dengan jenis penelitian survei. Populasi dalam penelitian ini adalah peserta didik SMA Negeri 3 Singaraja dengan jumlah keseluruhan 1041 orang. Sampel penelitian ini menggunakan teknik random sampling dengan quota sampling sebanyak 10% dari total populasi sehingga jumlah sampel dalam penelitian ini adalah 107 orang. Data dianaisis menggunakan teknik deskriptif kuantitatif dengan mencari persentase. Hasil dalam penelitian ini dilihat dari respon peserta didik terhadap proses pembelajaran daring dengan platform google classroom pada mata pelajaran PJOK dengan nilai persentase keefektifan sebesar 74,3% ada pada criteria efektif dan nilai output peserta didik sebagai penguat data dengan nilai persentase ketuntasan pembelajaran 75,8% (tuntas) ada pada katagori efektif. Penerapan pembelajaran daring dengan platform google classroom pada mata pelajaran PJOK dapat dikatakan efektif.
Sistem Layanan Informasi PISA (Programme For International Student Assessment) Berbasis Website untuk Guru IPA SMP dan SMA
Authors: Hartono Hartono , Fadhilah Ayu , Slamet Adeng 
Published: December 2021

PISA merupakan program internasional yang diselenggarakan oleh OECD untuk membandingkan kemampuan peserta didik yang berada pada rentang usia 15 tahun. Hanya saja pada tidak semua guru mengetahui serta memahami apa itu PISA. Peningkatan pemahaman guru mengenai PISA dapat dilakukan dengan mengembangkan PISA berbasis website dengan tujuan untuk mengetahui kevalidan, kepraktisan dan efektivitas penggunaan Website. Penelitian ini merupakan jenis penelitian pengembangan, yang dikembangkan dengan menggunakan model Alisse dan Trollip yang tersusun dalam 3 tahap antara lain perencanaan, desain dan pengembangan. Populasi dalam penelitian ini yakni seluruh guru mata pelajaran IPA SMP dan SMA. Penentuan sekolah dilakukan dengan menggunakan teknik Purposive sampling yaitu dipilih berdasarkan kriteria tertentu, yaitu berdasarkan letak dan akreditasi sekolah. Teknik pengumpulan data pada penelitian ini menggunakan wawancara dan kuesioner. Kuesioner yang diisi oleh para ahli bertujuan untuk mengetahui kevalidan sistem layanan informasi berbasis Website sedangkan kuesioner yang diisi oleh responden bertujuan untuk mengetahui keefektivan sistem layanan informasi PISA. Instrumen validasi ahli, dan Instrumen efektifitas pada penelitian ini menggunakan Skala Likert yang memiliki 5 pilihan jawaban. Website divalidasi oleh 1 validator ahli desain, 1 validator ahli materi dan 1 validator ahli bahasa. Hasil analisis penelitian menunjukkan bahwa Uji terhadap validitas oleh ahli desain 90,91% dan materi 87.5%, berkualifikasi dan hampir sempurna dengan dilakukan perbaikan ringan, selanjutnya pada uji terhadap efektivitas menunjukan persentase 87,49 dengan kategori sangat efektif. Dengan demikian, sistem layanan informasi PISA berbasis Website dinyatakan layak untuk diproduksi dan diterapkan.
Peningkatan Kinerja Guru Melalui Supervisi Kepala Sekolah pada Sekolah Dasar
Authors: Sanglah I Nyoman 
Published: December 2021

Dalam rangka melaksanakan tugas dan tanggung jawabnya seorang guru dituntut memiliki beberapa kemampuan dan ketrampilan, yang ditunjukkan dalam bentuk kinerja seorang guru. Hanya saja tidak semua guru memiliki kualitas kinerja yang baik, sehingga perlu dilalukan berbagai macam upaya untuk meningkatkan kinerja guru tersebut. Adapun tujuan dari penelitian ini yakni untuk mengetahui upaya peningkatan kinerja guru melalui supervisi kepala sekolah. Penelitian ini merupakan jenis penelitian tindakan, yang dilaksanakan dalam 2 siklus penelitian yakni siklus I dan siklus II. Pada masing-masing siklus terdapat tahap perencanaan, tindakan, observasi serta evaluasi dan refleksi. Subjek yang terlibat dalam penelitian ini berjumlah 10 orang, yang terdiri dari 9 orang guru dan 1 orang pegawai tata usaha. Pengumpulan data dalam penelitian dilakukan dengan menggunakan teknik observasi, wawancara, dokumentasi dan pemberian kuisioner. Data hasil penelitian kemudian dianalisis dengan menggunakan teknik analisis analisis statistik deskriptif yaitu dengan mencari rata-rata peningkatakan kinerja guru yang kemudian dikonfersikan kedalam PAP skala lima untuk menentukan tinggi kinerja guru setelah dilakukan supervisi kepala sekolah. Hasil penelitian menunjukkan bahwa terdapat peningkatan kinerja guru pada setiap siklusnya dimana pada tahap prasiklus rata-rata penilaian kinerja hanya mencapai 75%, kemudian meningkat pada siklus I menjadi 90%, dan meningkat kembali pada siklus II menjadi 100%, dimana semua guru telah memiliki kinerja yang baik. Sehingga berdasarkan hasil tersebut dapat disimpulkan bahwa secara signifikan supervisi kepala sekolah dapat meningkatkan kinerja guru.
The Value of Postgraduate Students Opinions in the Quality Management of Academic E-Learning
Authors: Rembielak Grażyna , Marciniak Renata 
Published: December 2021

Abstract
The quality of online education is of interest to universities around the world. Only high quality and cyclical evaluation are the conditions for obtaining students’ satisfaction with this form of education. In the pandemic era, digital dissemination and open education have become a special obligation of academic education. This paper aims to present the opinions of postgraduate students on the quality of e-learning forced by the Covid-19 pandemic. The study was conducted using an online survey questionnaire sent to all 173 MBA and Executive MBA (EMBA) students studying during the pandemic era in Poland's leading Business School, 40% of whom returned completed valid surveys. Students assessed aspects of e-learning such as teaching materials, communication with lecturers, the attractiveness of online classes, networking, strategies, and criteria for evaluating didactic activities, e-learning platform, and support received from the university. The results showed that although most examined aspects are perceived very well or well by the students, there is always some space for improvement. Despite the fact that the study was conducted on a small sample of students, their opinions obtained during the survey provide valuable information to universities about the quality of postgraduate e-learning from its main actors, that is, students. Based on this, the paper presents clear recommendations to universities on how the quality of online education could be managed and improved.
Sistem Akuaponik “Kulkas Hidup” Untuk Daerah Lahan Terbatas, Sulit Air dan Daerah Pasca Bencana
Authors: Aprilia Tulas 
Published: December 2021

Tingginya pertumbuhan jumlah penduduk menyebabkan semakin berkurangnya lahan pertanian dan perikanan, sementara di sisi lain permintaan akan bahan pangan semakin meningkat. Hal ini mendorong munculnya inovasi menciptakan budidaya pada lahan terbatas. Tujuan penelitian ini adalah untuk mengetahui survival rate ikan, laju pertumbuhan harian, feed convertion ratio, karakter media akuaponik, produktivitas sayuran serta kualitas air pada sistem akuaponik sebagai bentuk inovasi kulkas hidup. Penelitian ini diharapkan mampu menjadi solusi atas permasalahan pangan di daerah sempit, padat penduduk, daerah sulit air dan daerah pasca bencana. Hasil yang didapatkan Survival Rate pada kepadatan ikan 5 kg/ember cukup baik yaitu 77-81%. Laju pertumbuhan bobot harian serta feed convertion ratio pada kepadatan ikan 5 kg/ember dengan frekuensi pakan satu kali lebih efektif dan menguntungkan. Karakter media akuaponik sistem kulkas hidup mempunyai banyak kelebihan yaitu: hemat air, sistemnya sederhana, tidak membutuhkan listrik, cocok untuk daerah minim lahan, biaya investasi murah, mudah di laksanakan, cocok untuk produksi rumah tangga, kepadatan ikan yang dipelihara cukup tinggi. Produktivitas sayuran kangkung juga baik dengan media tanam cukup menggunakan arang kayu, kepadatan tanaman cukup tinggi, dan jumlah pakan ikan yang rendah sudah mampu menghasilkan kangkung yang banyak dengan kualitas air yang cukup baik. Akuaponik sistem kulkas hidup dapat dijadikan pilihan solusi untuk ketersediaan pangan di daerah yang padat penduduk, daerah sulit air dan daerah pasca bencana.
Kata kunci: Akuaponik, Kulkas hidup, Pangan, Pasca Bencana
ANNUAL AND SEASONAL VARIATIONS IN THE FILLING OF THE STRATOSPHERE WITH A BACKGROUND AEROSOL IN WESTERN SIBERIA
Authors: Маричев В.Н. , Бочковский Д.А. 
Published: December 2021

В статье анализируются экспериментальные данные по изменчивости вертикально-временной структуры аэрозоля и его интегрального содержания в стратосфере, полученные на лидарном комплексе станции высотного зондирования атмосферы ИОА СО РАН за 2018 г., а также приводятся их некоторые сравнения с предыдущими результатами 2016-17 годами. В качестве первичной информации для анализа использовался массив данных из 61 суммарных сигналов, накопленных в отдельные ночи. Интервал зондируемых высот простирался от 10 до 50-60км, пространственное разрешение составляло 192 м., время накопления суммарного сигнала 2 час. По результатам наблюдений, как и в предыдущие годы, зарегистрировано высокое содержание аэрозоля в нижней стратосфере в зимние месяцы года и практическое отсутствие в теплый период. В верхней стратосфере (30 50 км) в течение всего года фоновый аэрозоль отсутствует.
In this paper we analyze the experimental data on variations in vertical-temporal structure of aerosol and its integrated content in the stratosphere, obtained using lidar complex at the Station of High-Altitude Sensing in Institute of Atmospheric Optics, Siberian Branch, Russian Academy of Sciences for 2018 also, we present certain comparisons with previous measurements in 2016-2017. A dataset of 61 total signals, accumulated on separate nights, was used as initial information for analysis. Sensing covered the altitude range from 10 to 50-60 km, the spatial resolution was 192 m, and the total signal was accumulated for 2 hours. As in previous years, the observations recorded the high aerosol content in the lower stratosphere during winter months and almost no aerosol in warm period. In the upper stratosphere (30 50 km) background aerosol is absent throughout the year.
BOUNDARY CONTROL PROBLEM FOR ONE DEGENERATE HIBERBOLIC EQUATION
Authors: Аттаев А.Х. 
Published: December 2021

В работе изучается задача граничного управления для вырождающегося гиперболического уравнения второго порядка. Установлены необходимые и достаточные условия управляемости данными Коши за минимальный промежуток времени. Граничные управления предъявлены в явном аналитическом виде.
The paper studies the boundary control problem for a degenerate second-order hyperbolic equation. Necessary and sufficient conditions are established for minimal time controllability over Cauchy data. Boundary controls are presented in an explicit analytical form.
METHOD FOR STEP-BY-STEP ADAPTATION OF THE WIDTH OF MEASUREMENT INTERVAL TO SIGNAL PARAMETERS
Authors: Терехов Л.С. , Лаврухин А.А. 
Published: December 2021

Указывается, что известные методы измерений исходного сигнала приводят к погрешностям, если ширина измерительных интервалов пошагово не адаптируется к меняющимся параметрам сигнала. Использован новый подход к измерению, раскрывающий единую физическую основу измерения и инструментального вычисления. Алгоритм, следствие указанного подхода, предназначен для получения дискретной последовательности отсчетов сигнала, соответствующих локально определяемым интервалам усреднения. Последовательность получаемых интервалов усреднения приближается к оптимальной и обеспечивает при измерении или решении вычислительной задачи уменьшение погрешности изменяющейся величины. Приведены результаты моделирования на трёх массивах отсчётов с фиксированными и адаптируемыми интервалами усреднения.
It is indicated that the known methods for measuring some initial signal lead to errors if the width of the measuring intervals does not step by step adapt to changing signal parameters. A new approach to measurement is used, revealing a unified physical basis for measurement and instrumental computation. A new algorithm as a consequence of this approach is designed to obtain a sequence of discrete samples that matched to locally determined averaging intervals. Resulting sequence of averaging intervals ensures a decrease in the measurement or computing error. The results of calculations on three arrays of samples are presented with fixed and adaptable averaging intervals.
USING LOW-CODE PLATFORM IN THE TRANSITION TO A PROCESS APPROACH WHEN CREATING AUTOMATED SYSTEMS
Authors: Иванов Ф.Ф. , Яковлев Г.С. 
Published: December 2021

Дается обзор ситуации вокруг Low-code платформ и причины, которые послужили источником текущего состояния. Также рассматриваются существующие платформы, относящиеся к этому классу. Показываются преимущества использования таких платформ при создании автоматизированных систем.
It provides an overview of the situation around the Low-code platforms and causes that are the source of the current status. Existing platforms related to this class are also considered. Showing the benefits of using these platforms to create automated systems.
EVALUATION OF THE PARAMETERS OF FRACTAL POROUS MEDIA
Authors: Егоров А.А. , Гавриленко Т.В. , Быковских Д.А. 
Published: December 2021

В статье представлены результаты исследования моделей пористых сред построенных на основе стохастических фракталов шум Перлина и газовое облако, в частности представлены подходы к определению структуры пористого пространства и его проницаемости. Рассматриваются вопросы оценки параметров пористости сред. Описываются механизмы сегментации областей пористых сред. Представлены результаты моделирования и расчётов пористости модели, фрактальной размерности, а также взаимосвязь данных показателей. Показаны возможности разработанного комплекс программного обеспечения Кернализ по анализу и сегментированию двумерных срезов, как матриц, полученных методами генерации стохастических фракталов, так и матриц реальных пористых сред. Показано, что фрактальная размерность созданных матриц и пористых сред, сохраняется для любых масштабов среза и размеров сетки фракталов использованных для построения моделей пористых сред, а также фрактальная размерность матриц и пористых сред зависит от параметра бинарной фильтрации, формирующего заданную пористость, путем изменения соотношение матриц, открытых и закрытых пор, к общему объему образца.
The article presents the results of a study of models of porous media based on stochastic fractals Perlin noise and gas cloud. in particular, it presents approaches to determining the structure of a porous space and its permeability. The article deals with evaluation of parameters of the porous media. Mechanisms of segmentation of areas of porous media are described. The results of modeling and calculations of the model porosity, fractal dimension, and the relationship of these indicators are presented. The possibilities of the developed Kernaliz software package for analyzing and segmenting two-dimensional sections, both matrices obtained by generating stochastic fractals and matrices of real porous media, are shown. It is shown that the fractal dimension of the created matrices and porous media is preserved for any cut-off scale and grid size of the fractals used to build models of porous media, as well as the fractal dimension of the matrices and porous media depends on the binary filtering parameter that forms the specified porosity by changing the ratio of the matrices, open and closed pores, to the total volume of the sample.
About some models of interaction of social groups
Authors: Кенетова Р.О. 
Published: December 2021

При создании математических моделей социальных процессов возникают такие трудности как отсутствие фундаментальных законов, плохая «измеримость»социальных показателей, сильная разномасштабность – от малых социальных групп до этносов, разнородность и нелинейность изучаемых социальных объектов. Процесс взаимодействия индивидуумов, коллективов и организованных масс есть сложная синергетическая система зависимых переменных и поведение этой системы может резко изменяться при некоторых внешних условиях, приводя к различного рода экстремальным (кризисным) ситуациям, к изменениям в макроскопических масштабах
When creating mathematical models of social processes, there are such difficulties as the lack of fundamental laws, poor measurability of social indicators, and a strong diversity of scales – from small social groups to ethnic groups, heterogeneity and non-linearity of the studied social objects. The process of interaction between individuals, collectives and organized masses is a complex synergetic system of dependent variables and the behavior of this system can change dramatically under certain external conditions, leading to various kinds of extreme (crisis) situations, to changes on a macroscopic scale.