bluuebunny/crossref_metadata_2025_split huggingface dataset:
Structural Bioinformatics Used to Predict the Protein Targets of
Remdesivir and Flavones in SARS-CoV-2 Infection
Authors: Speranta Avram , Manoliu Laura , Sogor Catalina , Mernea Maria , Seiman Corina Duda , Seiman Daniel Duda , Chifiriuc Carmen 
Published: August 2021

Background:
During the current SARS-CoV-2 pandemic, the identification of effective
antiviral drugs is crucial. Unfortunately, no specific treatment or vaccine is available to date.

Objective:
Here, we aimed to predict the interactions with SARS-CoV-2 proteins and protein targets
from the human body for some flavone molecules (kaempferol, morin, pectolinarin, myricitrin, and
herbacetin) in comparison to synthetic compounds (hydroxychloroquine, remdesivir, ribavirin, ritonavir,
AMD-070, favipiravir).

Methods:
Using MOE software and advanced bioinformatics and cheminformatics portals, we conducted
an extensive analysis based on various structural and functional features of compounds, such
as their amphiphilic field, flexibility, and steric features. The structural similarity analysis of natural
and synthetic compounds was performed using Tanimoto coefficients. The interactions of some
compounds with SARS-CoV-2 3CLprotease or RNA-dependent RNA polymerase were described
using 2D protein-ligand interaction diagrams based on known crystal structures. The potential targets
of considered compounds were identified using the SwissTargetPrediction web tool.

Results:
Our results showed that remdesivir, pectolinarin, and ritonavir present a strong structural
similarity which may be correlated to their similar biological activity. As common molecular targets
of compounds in the human body, ritonavir, kaempferol, morin, and herbacetin can activate multidrug
resistance-associated proteins, while remdesivir, ribavirin, and pectolinarin appear as ligands for
adenosine receptors.

Conclusion:
Our evaluation recommends remdesivir, pectolinarin, and ritonavir as promising anti-
SARS-CoV-2 agents.
Distribution, Metabolism, Excretion and Toxicokinetics of Vitexin in Rats
and Dogs
Authors: He Yuqi , Jiang Min , Cheng Long , Tan Daopeng , Li Geng , Lv Wenying , Shao Xu , Li Xiaoliang , Niu Haijun , Xu Yaoqing , Zhang Jianyong , Qin Lin 
Published: August 2021

Background:
Vitexin is the main bioactive compound of hawthorn (Crataegus pinnatifida),
a famous traditional Chinese medicine, and vitexin for injection is currently in phase I clinical
trial in China.

Objective:
This investigation systematically evaluated the metabolism and toxicokinetics of vitexin
in rats and dogs.

Methods:
Rats and beagle dogs were administrated different doses of vitexin, and then the plasma
concentration, tissue distribution, excretion, metabolism, pharmacokinetics and plasma protein
binding were investigated.

Results :
The elimination half-life (t1/2) values in rats after a single intravenous dose of 3, 15 and 75
mg/kg were estimated as 43.53±10.82, 22.86±4.23, and 21.17±8.64 min, and the values of the area
under the plasma concentration-time curve (AUC0→∞) were 329.34±144.07, 974.79±177.27, and
5251.49±786.98 mg•min/L, respectively. The plasma protein binding rate in rats was determined
as about 65% by equilibrium dialysis after 72 hr. After 24 hr of intravenous administration,
16.30%, 3.47% and 9.72% of the given dose were excreted in urine, feces and bile, respectively.
The metabolites of the vitexin were hydrolyzed via deglycosylation. The pharmacokinetics of dogs
after intravenous administration revealed t1/2, AUC0-∞ and mean residence time (MRT0-∞) values of
20.43±6.37 min, 227.96±26.68 mg•min/L and 17.12±4.33 min, respectively. The no-observed-adverse-
effect level (NOAEL) was 50 mg/kg body weight/day. There was no significant accumulation
effect at 8 or 20 mg/kg/day in dogs over 92 days of repeated administration. For the 50 mg/kg/-
day dose group, the exposure (AUC, Cmax) decreased significantly with prolonged administration.
This trend suggests that repeated administration accelerates vitexin metabolism.

Conclusion:
The absorption of vitexin following routine oral administration was very low. To improve
the bioavailability of vitexin, the development of an injectable formulation would be a suitable
alternative choice.
Prevalence of Gastro-esophageal Reflux Disease in Suspected Laryngo-
pharingeal Reflux Unresponsive to Proton-pump Inhibitors
Authors: Tursi Antonio , Palieri Antonio Pio , Tiano Michele , Elisei Walter 
Published: August 2021

Background:
Laryngopharyngeal Reflux (LPR) may be part of Gastroesophageal Reflux
Disease (GERD). However, sometimes suspected LPR seems refractory to Proton Pump Inhibitors
(PPI), questioning therefore the GERD diagnosis. Our aim was to evaluate the real-life prevalence
of GERD in patients with a recent laryngoscopic diagnosis of LPR, and unresponsive to PPI.
We also assessed whether other causes than GERD could explain the laryngoscopic findings in
those patients.

Methods:
We retrospectively analyzed patients with the diagnosis of LPR, and unresponsive to
PPI. Those patients must have been investigated by: upper gastrointestinal endoscopy with biopsies;
multichannel intraluminal impedance and pH monitoring (MII-pH); X-ray of the chest and/or
of the paranasal sinuses; hormonal thyroid assessment; prick tests to assess food and/or inhalants
and pollen allergy.

Results:
We enrolled 28 patients (18, 64.3%, males and 10, 35.7%, females; median, IQR age 39.4,
21-75 yrs). Endoscopic hiatal hernia was found in 9/28 (32.1%) patients; the MII-pH analysis
showed abnormality in 2/28 (7.14%) patients (both having also GERD symptoms); Chest X-ray
found chest diseases in 2/28 (7.14%) patients and X-rays of the paranasal sinuses found sinusitis in
1/28 (3.6%); 2/28 (7.14%) patients had hyperthyroidism; food and/or inhalants and pollen allergy
was found in 9 (32.1%) patients. In 12/28 (42.9%) patients, any of the investigated diseases was
found.

Conclusions:
This study found that the real prevalence of GERD in patients with a recent laryngoscopic
diagnosis of LPR, and unresponsive to PPI, is low. Moreover, more than 40% of them did
not show any of the investigated diseases in real life.
Valproic Acid and Propionic Acid Modulated Mechanical Pathways Associated with Autism Spectrum Disorder at Prenatal and Neonatal Exposure
Authors: Sharma Amit Raj , Batra Gitika , Saini Lokesh , Sharma Saurabh , Mishra Abhishek , Singla Rubal , Singh Ashutosh , Singh Rahul Soloman , Jain Ashish , Bansal Seema , Modi Manish , Medhi Bikash 
Published: August 2021

:Autism spectrum disorder (ASD) is a composite disorder of brain development with uncertain etiology and pathophysiology. Genetic factors are important in ASD causation, although environmental factors are also involved in ASD pathophysiology. Environmental factors might affect the genetic processes of brain development through the modulation of molecular pathways that might be involved with ASD. Valproic acid and propionic acid are the major environmental factors that serve as medicine and food preservative. VPA is used as an anti-epileptic medicine, but it has adverse effects on pregnant women and alters the developmental patterns of the embryo. It is a multi- targeting agent and affects 5-HT, GABA, etc. PPA is a secondary metabolite of gut microbiota that is commonly used as a food preservative. PPA plays a significant role in ASD causation by altering the several developmental molecular pathways like PTEN/Akt, mTOR/Gskβ, Cytokines activated pathways, etc., at the prenatal and neonatal stage. Moreover, ASD complexity might be increased by other important factors like vitamin A deficiency. Vitamin A is important for cortical brain development and neuronal cell differentiation. Additionally, several important genes such as RELN, Lhx2, CREB, IL-6, NMDA, BDNF, etc., are also altered in ASD and involved in brain development, central nervous system, and enteric nervous system. These genes affect neuronal differentiation, hyperactivity, oxidative stress, oxytocin, and GABA imbalance lead to improper behavior in autistic individuals. These genes are also studied in VPA and PPA ASD-like animal models. In this review, we explored the mechanical pathways that might be altered with VPA and PPA exposures at the embryonic developmental stage or neonatal developmental stage.
Desaprendizagens permanentes: experiências com a arte na Pedagogia
Authors: Egas Olga 
Published: August 2021

Este texto apresenta reflexões sobre educação, docência e arte, bem como expectativas sobre o início e término de um percurso possível para a disciplina Fundamentos Teórico Metodológicos em Arte I no curso de Pedagogia, considerando os desafios e as responsabilidades compartilhadas entre professora e estudantes, futuros professores.
ENGINEERING MACROSEISMIC SURVEY OF EPICENTRAL AREA OF THE EARTHQUAKE ON 14 DECEMBER 2000
Authors: Заалишвили В.Б. , Одишария А.В. , Тимченко И.Э. , Отинашвили М.Г. , Гогмачадзе С.А. , Заалишвили З.В. 
Published: August 2021

Приводится анализ землетрясения, произошедшего в 2000 году на территории Грузии. Была прове- дена специальная экспедиция, которую организовал Институт строительной механики и сейсмостойкости АН Грузии. Опрошены жители населенных пунктов, оказавшихся в зоне землетрясения. На основе анализа полученного материала была построена карта изосейст в технологии GIS.
The analysis of earthquake that occurred in 2000 on the territory of Georgia is given. The special expedition was organized by the Institute of Structural Mechanics and Earthquake Engineering of Georgian Academy of Sciences. The residents of the settlements, that were in the earthquake zone were interviewed. Based on analysis of the material obtained was built isoseists map using GIS technologies.
SEISMIC RISK ASSESSMENT OF URBANIZED TERRITORY
Authors: Заалишвили В.Б. , Дзеранов Б.В. , Невский Л.Н. , Архиреева И.Г. 
Published: August 2021

На основе учета всей совокупности факторов сейсмическая опасность, уязвимость застройки, сейсмический риск, разработана методика оценки и прогноза сейсмического риска. Используя полученные результаты, выполнена оценка сейсмического риска территории города Владикавказа, что позволило выделить наиболее сейсмически уязвимые участки
Based on accounting all factors: seismic hazard, vulnerability of buildings a method of seismic risk assessment and prognosis of seismic risk is developed. Using the developed methodology the seismic risk assessment of Vladikavkaz city is performed, this allowed to identify the most seismically vulnerable areas
SEISMOLOGICAL OBSERVATIONS ON THE TERRITORY OF THE REPUBLIC NORTH OSSETIA-ALANIA
Authors: Заалишвили В.Б. , Невская Н.И. 
Published: August 2021

Рассмотрено развитие сейсмологических наблюдений на территории Республики Северная Осетия-Алания. Создание локальных сетей сейсмических наблюдений является составной частью комплексных геофизических наблюдений в регионе и позволяет разработать геолого-геофизических аспекты устойчивого развития горных территорий, исследовать напряженно-деформированное состояние горного массива при технологическом вмешательств и, наконец, исследовать опасные эндогенные и экзогенные процессы и сопутствующие им опасные геологические явления.
The article considers the development of seismological observations on the territory of the Republic of North Ossetia-Alania. Creation of local seismic observation networks is a component part of complex geophysical observations in the region and it allows developing geologic-geophysical aspects of sustainable development of mountain territories it also allows investigating strain-stress massif condition under anthropogenic impact and, finally, it allows investigating hazardous endogenous and exogenous processes and accompanied geological phenomena.
SPECIFICATION OF INTEGRATED ESTIMATES OF SUSCEPTIBILITY OF GEOSYSTEMS TO NATURAL DANGEROUS PROCESSES: PROBLEMS OF REALIZATION, INTERPRETATIONAL ANALYSIS
Authors: Марченко П.Е. 
Published: August 2021

В соответствии с авторской методологией численной интегральной оценки степени подверженности геосистем опасным природным процессам, опирающейся на геоинформационные модели и методы, по- лучены и представлены в картографической форме интегральные оценки фактической природной опас- ности геосистем Кабардино-Балкарской Республики, отличающиеся степенью детализации при измене- нии размеров анализируемых геотаксонов.
According to authors methodology of a numerical integrated assessment of degree of the susceptibility of geosystems to natural hazards basing on geoinformation models and methods, the integrated estimates of the actual natural danger of geosystems of Kabardin-Balkar Republic, differing in extent of specification at change of the sizes of the analyzed geotaxons, are received and presented in a cartographical form.
METALLOGENY OF THE NORTH CAUCASUS – PRESENT AND FUTURE
Authors: Черкашин В.И. , Богуш И.А. 
Published: August 2021

В работе рассматриваются новые представления о металлогении юрских комплексов Северного Кав- каза. Обращается внимание на широкое площадное развитие стратиформного оруденения полиметаллов, свинца, цинка, золота, меди, связанных с раннеальпийскими (киммерийскими) тектоническими движени- ями. Приводятся примеры двух типов регионального стратиформного свинцово-цинкового и колчеданно- го оруденения
In this paper we consider new ideas about the Jurassic metallogenic systems of the North Caucasus. Attention is drawn to the wide-areal development of stratiform mineralization of base metals, lead, zinc, gold, copper, associated with the early Alpine (Cimmerian) history of geological development is paid. The examples of two types of regional stratiform lead-zinc and pyrite mineralization are given.
STATE OF ATMOSPHERIC POLLUTION AND MORBIDITY OF THE POPULATION OF VLADIKAVKAZ CITY
Authors: Бериев О.Г. , Заалишвили В.Б. 
Published: August 2021

В статье исследовано состояние загрязнения атмосферы и заболеваемости населения на территории г. Владикавказа за пятилетний период. Установлена тенденция к снижению выбросов в окружающую сре- ду главным образом за счет уменьшения объемов производств и выполнения природоохранных меропри- ятий на промышленных предприятиях города. Вместе с тем, отмечается рост количества автотранспорта и его техногенная нагрузка на среду неуклонно увеличивается.
State of air pollution and the incidence of population on the territory of Vladikavkaz city for the five-year period are investigated in the paper. The tendency of reduction of emissions into the environment (mainly due to the reduction of production volume and implementation of environmental activities at the industrial enterprises of the city) is stated. At the same time, number of vehicles and corresponding anthropogenic impact on the environment are steadily increasing
PECULIARITIES OF FORMATION OF CHEMICAL COMPOSITION OF THE EASTERN DONBAS MINE WATERS FOR A CENTENARY PERIOD
Authors: Гавришин А.И. 
Published: August 2021

Закономерности формирования химического состава шахтных вод в Восточном Донбассе изучены за столетний период с 20х годов XX века по 2010 год. Всего использовано более 1500 анализов. Наиболь- шие изменения химического состава отмечены в 40е и 50е годы, и после массовой ликвидации угольных шахт в регионе в 90е годы. Вынос растворённых веществ шахтными водами на поверхность достиг мак- симума к 2010 году, что вызвало интенсивное загрязнение природных вод. Выделено четыре главных на- правления трансформации химического состава шахтных вод в регионе, дана интерпретация их генезиса.
Regularities of formation of chemical composition of mine waters in the Eastern Donbas are studied in the space of the centenary since twenties of 20 century until the year 2010. In all, more than 1500 analyses have been used. The largest changes of chemical composition are recorded in 40th and 50th years, and after mass liquidation of coal mines in the region. The carrying away of dissolved substances reached its maximum in the year 2010, what caused an intensive pollution of natural waters. The four main directions of transformation of mine waters chemical composition have been singled out in the region and interpretation of their genesis given.
MONITORING AND FORECASTING OF THE LANDSLIDE PROCESSES IN GROZNY
Authors: Дмитриева Е.В. , Сергеев С.И. , Сергеев И.А. , Стефанов А.А. , Тихонов А.И. 
Published: August 2021

В данной статье рассматривается применение кинотеодолитного метода для наблюдения за динами- кой смещений оползневого склона. В сочетании с метеорологическим и геофизическим мониторингом кинотеодолитный метод позволяет заблаговременно распознать переход оползня в активное состояние и в итоге провести мероприятия по защите населения до начала фазы катастрофических смещений
The article considers the usage of cinetheodolite method for displacement dynamics of the landslide slope observation. In combination with meteorological and geophysical monitoring cinetheodolite method allows identifying in advance the change of landslide into the active state and as the result carrying out the measures on population safety before the phase of catastrophic displacement
ANALYSIS OF OBSERVATIONS OF NATURAL PULSED ELECTROMAGNETIC FIELD OF THE EARTH USING STATIONS NETWO RK OF NORTH CAUCASUS REGION. ISOLATION OF CHARACTERISTIC ANOMALY FORMS, THAT ARE PRECEDING SEISMICITY ACTIVATION OF THE CENTRAL AND EASTERN CAUCASUS
Authors: Забирченко Д.Н. , Дьяконов С.С. 
Published: August 2021

В результате анализа многолетних рядов наблюдений за естественным импульсным электромагнитным полем Земли (ЕИЭМПЗ) по сети из 10 регистраторов, расположенных от Черного до Каспийского моря в пределах сейсмоопасных районов Северо-Кавказского региона, выделены характерные образы аномалий, предваряющих сейсмические события с магнитудой более 4. Сделана попытка проанализировать взаимосвязь аномалий ЕИЭМПЗ с активизацией сейсмичности наиболее горячих сейсмических областей Центрального и Восточного Кавказа.
An analysis of long-term series of observations of the natural pulsed electromagnetic field of the Earth in a network of 10 registrars, located on the Black Sea to the Caspian Sea within the seismic areas of the North Caucasus region, marked characteristic regional features of the behavior of diurnal and seasonal variations of geophysical fields. Developed a method for detecting anomalies with the offset intensity seasonal background. Do an attempt to analyze the relationship anomalies with the activation of the hot seismic regions in Central and Eastern Caucasus
ON THE POSSIBLE INTERRELATION OF A CHANGE IN THE GRAVITATIONAL FIELD AND MICROSEISMIC FLUCTUATIONS LEVEL WITH THE SEISMIC EVENTS
Authors: Мельков Д.А. , Кануков А.С. , Заалишвили В.Б. 
Published: August 2021

В статье рассматривается возможное влияние землетрясения на гравитационное поле. Для этого выполнена обработка сейсмического события, приуроченного к Владикавказскому разлому и произошедшего в непосредственной близости от пункта гравиметрических наблюдений. Кроме того, показано увеличение уровня микросейсмического фона в течение суток после землетрясения
The possible influence of earthquake on the gravitational field is examined. For this the seismic event, which occurred in immediate proximity of the point of gravimetric observations and timed to the Vladikavkaz fault is processed. Furthermore also an increase in the microseismic background level in the course of twenty-four hours
after earthquake is shown
GEOLOGICAL FEATURE OF THE WESTERN SLOPE OF ELBRUS VOLCANO AND PRIELBRUSYE
Authors: Мышенкова М.С. , Короновский Н.В. 
Published: August 2021

Подробно рассматривается геологическое строение Западного Приэльбрусья и западный, наиболее сложно построенный склон вулкана Эльбрус. Выделены древнейшие толщи, прорывающая их огромная экструзия Кюкюртли, облекаемая более молодыми лавовыми потоками. Описаны самостоятельные центры извержений флюидолитов риолитового состава и их соотношение с вулканитами Эльбруса. Показано отсутствие кальдеры на Эльбрусе. Возраст вулканитов обоснован геологическими и геоморфологическими методами и неотектоническими построениями с учетом данных по изотопным методам
In detail the geological feature of the Western Prielbrusye and the western, most difficult constructed slope of Elbrus volcano is considered. The most ancient thicknesses, the huge Kyukyurtli extrusive massif which is breaking through it’s and invested by younger lava streams are marked out. The independent eruptions centers of rhyolitic fluidolites and its ratio from Elbrus volcanic rocks are described. An absence of a caldera on Elbrus is shown. The age of volcanic rocks is proved by geological and geomorphological methods and neotectonic constructions taking into account data on isotope methods
POLICY IN EDUCATION AND SCIENCES AS THE INSTRUMENT OF MODERNIZATION OF SOCIETY (IN EXAMPLE OF ENGINEERING SEISMOLOGY AND EARTHQUAKE ENGINEERING)
Authors: Джинчвелашвили Г.А. , Денисенкова Н.Н. 
Published: August 2021

В статье проанализированы некоторые аспекты образовательной политики государства. Показано, что существующая в России система государственного управления образовательным процессом и научными исследованиями устарела и не отвечает современным вызовам и потребностям. Она не позволяет
провести реформу образовательной сферы и обеспечить инновационное развитие науки и образования в обществе. На примере подготовки кадров для строительной отрасли, показано, что для достижения намеченных целей в соответствии с нынешним политическим курсом, необходимо перейти к иной модели воздействия на образовательную систему в России – к государственному регулированию развития образования и научных исследований в области геофизики, инженерной сейсмологии и сейсмостойкого строительства
In article some aspects of educational policy of Russia are analyzed. It is shown that the system of public administration existing in Russia educational process and scientific research became outdated and doesn’t meet modern challenges and requirements. It doesn’t allow to undertake reform of the educational sphere and to
provide innovative development of science and education in society. On the example of training for a engineering industry, it is shown that for achievement of the planned purposes according to a present political policy, it is necessary to pass to other model of impact to educational system in Russia – to state regulation of development of education and scientific research in the field of geophysics, engineering seismology and earthquake engineering.
ARCHEOSEISMOLOGICAL STUDY AT ANCIENT TAURIC CHERSONESOS (SEVASTOPOL, CRIMEA)
Authors: Мараханов А.В. , Ларьков А.С. , Овсюченко А.Н. , Корженков А.М. , Хапаев В.В. 
Published: August 2021

Руины хорошо изученного древнего города Херсонес Таврический дают уникальную возможность для восстановления сейсмической истории Южного Крыма за последние 2,5 тыс. лет. Специфические деформации в стенах Херсонеса Таврического однозначно свидетельствуют о неоднократных сильных
землетрясениях, происходивших в далёком прошлом. В результате проведённых исследований удалось выявить следы, по крайней мере, двух или трех сильных землетрясений. Массовые разрушения в городе и его округе, не связанные с военными действиями, датируются: III в. н.э., V или VI в. н.э. и рубежом X−XI вв. н.э. Совместное использование исторических и археологических свидетельств открывает принципиально новые возможности для оценки сейсмической опасности
Ruins of well studied ancient Tauric Chersonesos give unique possibility for restoration of Southern Crimea seismic history for last 2,5 thousand years. Specific deformations within the walls of Chersonesos clearly testify to the numerous strong earthquakes occurring far back in the past. As a result of the studies it was possible to reveal traces, at least, two or three strong earthquakes. Mass destructions in a city and its district, not connected with military operations, are dated: III century AD, V or VI century AD and a boundary X−XI centuries AD. Sharing of historical and archaeological data opens essentially new possibilities for seismic hazard assessment