bluuebunny/crossref_metadata_2025 huggingface dataset:
ANTIBACTERIAL, ANTIFUNGAL, ANTIOXIDANT ACTIVITY AND POLYPHENOL CONTENT OF AERIAL PARTS AND BULBS OF ALLIUM SCHUGNANICUM
Authors:   Department of Microbiology, Immunology and Virology, Avicenna Tajik State Medical University, Satorov Saidbeg , Mirzoeva Fazila ,   Department of Microbiology, Immunology and Virology, Avicenna Tajik State Medical University, Kurbonbekova Shifo ,   Institute of Botany, Physiology and Genetics of Plants, National Academy of Sciences of the Republic of Tajikistan, Satorov Shukhrat ,   Department of Plant Biology, School of Environmental and Biological Sciences, Rutgers University, Vakhidova Manizha ,   Department of Plant Biology, School of Environmental and Biological Sciences, Rutgers University, Dushenkov Vyacheslav ,   Department of Natural Sciences, Hostos Community College, City University of New York
Published: May 2021

Objective: То study of antibacterial, antifungal and antioxidant activity, and content of polyphenols in the bulb and aerial parts of an endemic species of onion A. schugnanicum. Methods: An ethanol-based extract was prepared from fresh plants. Total polyphenolic content (Folin) and ABTS antioxidant capacity assays were used to characterized extracts. Extracts obtained from bulbs, peduncle, and seeds demonstrated antibacterial activity against the reference Staphylococcus aureus (ATCC 4929), Pseudomonas aeruginosa (ATCC 4930) and Klebsiella pneumoniae (ATCC 4927) strains, as well as against the hospital strains of the same types of bacteria, i.e. strains isolated from inpatient surgical patients. Results: The study found that ethanol extracts obtained from all organs of A. schugnanicum exhibit high inhibitory activity against the hospital and reference strains. In relation to reference then to hospital strains ethanol extracts were more active. The greatest bactericidal effect on both strains was exhibited by the bulb extracts. The extracts did not inhibit the growth of Escherichia coli. Fungicidal action characterized by growth inhibition zone of bulb and seeds, respectively. The extract obtained from the peduncle of this plant exhibited smaller inhibitory activity. The antioxidant capacity of A. schugnanicum different parts are shown in all the parts had a large antioxidant activity with dominating antioxidant capacity in seeds. The highest polyphenol level was found in the bulb. Conclusions: The study showed that A. schugnanicum may be a prospective species for developing botanical therapeutics. Keywords: Allium schugnanicum, medicinal plants, growth inhibition, extracts, antioxidant activity, hospital strains of bacteria, reference strains of bacteria
Marketing of sweet jelly seeds of palmyra fruit: A study covering the tribal region of South Gujarat, India
Authors: Chaudhari D. J. , Singh Narendra
Published: May 2021

Palmyra is a naturally occurring vegetation in Gujarat’s southern region, spread randomly overall soil and land types. The major produce utilized from palmyra palm for a livelihood by the tribal community, contributing considerably to their income, is through sales of the immature soft jelly seed nuts of the fruit called “galeli”. The present investigation was carried out to study the marketing cost, margin, and price spread in galeli marketing. Primary data for the period initiating from 2015-16 to 2017-18 were pooled from 50 palmyra palm growers selected randomly representing five tribal villages of Mahua taluka of Surat district in the South Gujarat region. Two marketing channels viz., Channel-I: producer-consumer and Channel-II: producer - retailer - consumer were observed, and the marketing cost incurred on galeli marketing in these channels was worked out, which was `51.64 and 33.94 per hundred galeli, respectively. The highest producer’s share in consumer’s rupee was worked out in channel-I. The study showed that the major constraint faced by 78 per cent of the palmyra palm growers in the marketing of galeli was the poor functioning of the climber equipment and non-remunerative prices for galeli in the local market.
Damage control surgery in lung trauma
Authors: Garcia Alberto , Millan Mauricio , Ordoñez Carlos Alberto , Burbano Daniela , Parra Michael W , Caicedo Yaset , González-Hadad Adolfo , Herrera Mario Alain , Pino Luis Fernando , Rodríguez-Holguín Fernando , Salcedo Alexander , Franco Maria Josefa , Ferrada Ricardo , Puyana Juan Carlos
Published: May 2021

Damage control techniques applied to the management of thoracic injuries have evolved over the last 15 years. Despite the limited number of publications, information is sufficient to scatter some fears and establish management principles. The severity of the anatomical injury justifies the procedure of damage control in only few selected cases. In most cases, the magnitude of the physiological derangement and the presence of other sources of bleeding within the thoracic cavity or in other body compartments constitutes the indication for the abbreviated procedure. The classification of lung injuries as peripheral, transfixing, and central or multiple, provides a guideline for the transient bleeding control and for the definitive management of the injury: pneumorraphy, wedge resection, tractotomy or anatomical resection, respectively.
Identification of specific patterns such as the need for resuscitative thoracotomy, or aortic occlusion, the existence of massive hemothorax, a central lung injury, a tracheobronchial injury, a major vascular injury, multiple bleeding sites as well as the recognition of hypothermia, acidosis or coagulopathy, constitute the indication for a damage control thoracotomy. In these cases, the surgeon executes an abbreviated procedure with packing of the bleeding surfaces, primary management with packing of some selected peripheral or transfixing lung injuries, and the postponement of lung resection, clamping of the pulmonary hilum in the most selective way possible. The abbreviation of the thoracotomy closure is achieved by suturing the skin over the wound packed, or by installing a vacuum system. The management of the patient in the intensive care unit will allow identification of those who require urgent reintervention and the correction of the physiological derangement in the remaining patients for their scheduled reintervention and definitive management.
Degree of bullying against Academic gifted students from their point of view and their need for psychological counseling: درجة انتشار التَّنمر ضد الموهوبين أكاديميًا من وجهة نظرهم وحاجتهم للإرشاد النفسي
Authors: Athari Jafar AlKandari, Safeya Taha AlZayed
Published: May 2021

The aim of the research was to identify the degree of bullying against the academic gifted and their need for psychological guidance, The research community was all the students in Sabah Al-Ahmad Center for Creativity and Talent in the State of Kuwait classes, The sample consisted of (210) students (113) male and (97) female from grade six to ten, was selected as purposive sample, The data were collected by semi-open interviews, The results indicated that 61% of the students admitted to being subjected to violence and abuse during their life stages, 85% of them were bullying verbally conversely 15% were bulling physically, and 86% were directly bullied while 14% indirectly bullied. That found show the high degree of exposure of talented people to proliferate during their life stages is high. They have been victims of violence and verbal and physical abuse, and there is an urgent need to develop preventive and curative guidance programs
The impact of digital Leadership in the adoption of the organization culture of the staff of the directorate of education in the governorate of Najaf in Iraq: أثر القيادة الرقمية في تبني الثقافة التنظيمية لدى الموظفين العاملين بمديرية تربية محافظة النجف الأشرف بالعراق
Authors: Yousef Hajim Sultan Al Tai - Baqir Khudair Abdul Abbas Al-Ha
Published: May 2021

The purpose of study is to explore The impact of digital Leadership in The adoption of the organization culture and rescan hers have used description approach , it as a tool in resolution in gathering information and data for that study ,Resolution were distributed on 85 officer in Najaf Department of Education , And the analysis done with use the Statistical program (SPSS(, The outcome indicated the access to the digital leadership on general average amount (3.17) ,and at the level of dimensions ,and it got the averages (3.35، 3.44، 2.71), for all of them respectively, and the axis of organizational culture got the total average (3.95), and there is positive correlation relationship the total average value amount (0.624), so that the application of digital Leadership is expedite in staff development through the light result of the study , we have been make set of recommendations in clouding that priorities attention impact elements digital Leadership in organization culture to obtain on impact and effectiveness of the digital Leadership in organization culture so we should be arranged of the digital Leadership priorities to achieve organization goals.
The Effectiveness of Using Mental Computation to Develop Some Number Sense Skills among third-grade Primary Students: فاعلية استخدام الحساب الذهني في تنمية بعض مهارات الحس العددي لدى طلبة الصف الثالث الأساسي
Authors: Nadia Hamlan Matouq
Published: May 2021

The research aimed to investigate the effectiveness of using mental Computation on developing some number sense skills in mathematics among third-grade primary students. The study followed the semi-experimental approach, The research sample consisted of (60) students male and female, who were distributed among two groups: the control group (30) students male and female and the experimental group (30) students male and female. The control group studied in the traditional way; the experimental group studied by using the computation strategies. The research's tools consisted of a 20-item number sense in a multiple format. The psychological properties of the test were verified, and appropriate statistical treatments were used to answer the research questions, The findings showed that the experimental group was superior over the control group with an arithmetic mean of (16.262) Whereas, the control group obtained an arithmetic mean of (12.771), and based on the results, the researcher recommended integrating mental Computation strategies into the developed mathematics curricula.
The Effectiveness of Teaching Biology Based on Electronic Mind Mapping Strategy on Achievement and Attitude Towards the Subject Among Tenth Basic Grade Students in Jordan
Authors: Jihad Khader Radwan Sabra -  Adnan Hussein Al - Jadri
Published: May 2021

This study aimed to find the effectiveness of teaching biology based on electronic mind mapping strategy on achievement and attitude towards the subject among the tenth basic grade students in Jordan. To achieve the aim of the study, the researcher followed the semi-experimental design of the two equal groups.Two measurement tools were designed to achieve the aims of the study. The first one is the achievement test, which consists of 30 multiple-choice questions. The second one is a questionnaire to measure the attitudes towards Biology, Verifying their sincerity and consistency.  The members of the study consist of (63) female students of Al- Khader Modern Schools. One of the two groups consists of (32) students were chosen randomly to be as an experimental group and to be taught using the electronic mind map while the other group - was controlled- consists of (31) students. The findings of the study showed;There is a statistical functional difference in the functional level (α = 0.05) in the tenth grade students' achievement in Biology and the attitudes toward the subject attributed to the effect of the teaching method in favor of the experimental group which was taught using the electronic mind maps in average of (24.59 out of 30) in the achievement where as (4.73 out of 5.00) towards the subject compared to the controlled group which was taught using the usual way in average of (21.55 out of 30) in the achievement out (4.07 out of 5.00) towards the subject. The differences were in favor of experimental group.  The main recommendation of the study was to set up training programs for Biology teachers to let them know the importance of electronic mind maps in teaching Biology; the correct way of using it, and to clarify the role of both the teacher and the students according to this strategy. And to clarify.
Analysis of the content of Arabic language courses for the secondary stage; Scientific and administrative track in the Kingdom of Saudi Arabia in light of the theory of multiple intelligences: تحليل محتوى مقررات اللغة العربية للمرحلة الثانوية؛ المسار العلمي والإداري في المملكة العربية السعودية في ضوء نظرية الذكاءات المتعددة
Authors: Muhammad Ali Hassan Alsweerky
Published: May 2021

The aim of this study was to identify the degree of inclusion, distribution and balance of multiple intelligences indicators in Arabic language courses for the secondary stage. The scientific and administrative track in Saudi Arabia was represented by units of analysis (activities and questions). To achieve the objectives of the study, The sample consists of four courses for the Arabic language for the secondary stage, with a total of 254 activities and 146 questions. The results of the analysis of the activities and the questions together revealed that the intelligences (linguistic, logical, and social) had an average of 51.6%, 18.9% and 10.5% respectively, The rest of the intelligences were: (physical 6.4%, spatial 3.8%, natural 2.9%, music 2.8%, self-2.3%), all of which were very low, 48,4%, logical intelligence at 20.9%, all of them very high, and the rest of the intelligences came at very low rates, and the results of the analysis of the questions got linguistic intelligence at 58.8%, logical intelligence at 14.9% , And The number of different intelligences was unevenly distributed over these courses. In the light of the results revealed by the study, a number of recommendations and proposals were presented to achieve the required balance in Arabic language courses and courses.
The Directions of Faculty Members At Shoubak University College Towards The Use of Educational Technology To Facilitate The Educational Process
Authors: Walaa Ahmed Mohammed Al Shuaibat
Published: May 2021

The study aimed at exploring directions of faculty members at Shoubak University College towards the use of educational technology to facilitate the educational process. The researchers used the descriptive survey method, and then they prepared a questionnaire to investigate faculty members at Shoubak University College after adjudication and the extraction of tool reliability and validity. The study sample consisted of (27) male and female faculty members. The researchers used appropriate statistical treatments according to study questions. The study results showed that the trend of faculty members at Shoubak University College Towards the use of educational technology to facilitate the educational process was positive and at a high level of appreciation A rate of (75.6%), and the arithmetic average of the instrument as whole was (3.78). The study results also showed that there is no statistically significant differences (a ≤ 0.05) due to sex variable, and no presence of significant differences attributed to experience years, and no statistically significant differences due to the variable method of education. The study showed a positive trend towards the use of teaching technology by faculty members to facilitate the educational process at Shoubak University College and at a high level of appreciation. The study showed that there was no effect on differences due to gender variable, years of experience, and method of education
Clinical Challenges of Transitioning to High Sensitivity Thyroglobulin Assay
Authors:   Department of Pathology and Laboratory Medicine, Dalhousie University, Halifax, NS, Canada, JA Yorke , A Lou ,   Department of Pathology and Laboratory Medicine, Dalhousie University, Halifax, NS, Canada, MO Elnenaei ,   Department of Pathology and Laboratory Medicine, Dalhousie University, Halifax, NS, Canada, P Sadeghi-Aval ,   Department of Pathology and Laboratory Medicine, Dalhousie University, Halifax, NS, Canada, A Thoni ,   Department of Pathology and Laboratory Medicine, Dalhousie University, Halifax, NS, Canada, BA Nassar ,   Department of Pathology and Laboratory Medicine, Dalhousie University, Halifax, NS, Canada, D Murphy ,   Department of Pathology and Laboratory Medicine, Dalhousie University, Halifax, NS, Canada, E Fortin M ,   Department of Pathology and Laboratory Medicine, Dalhousie University, Halifax, NS, Canada, L Tramble ,   Division of Endocrinology, Department of Medicine, Dalhousie University, Halifax, NS, Canada, M Rajaraman ,   Division of Radiation Oncology, Dalhousie University, Halifax, NS, Canada, SA Imran ,   Division of Radiation Oncology, Dalhousie University, Halifax, NS, Canada
Published: May 2021

Background: Patients treated for Differentiated Thyroid Cancer (DTC) are followed by thyroglobulin (Tg) testing with standard Tg assays after a stimulation test (Tg-ST), which is expensive and time consuming. High-Sensitivity Thyroglobulin (HS-Tg) assays are purported to replace Tg-ST; acceptable cutoffs however may vary according to assays and patient population. We aimed to evaluate the HS-Tg assay (Roche Elecsys® Tg II) and apply it to clinical use. Method: Analytical evaluations were performed following CLSI standard protocols. Clinical evaluation was done prospectively on 35 DTC patients subjected to Tg measurements both pre- and post- Tg-ST Clinical accuracy performance of HS-Tg was compared to that of conventional Tg-ST protocol utilizing the Siemens Immulite 2000 XPI platform. Results: HS-Tg assay showed an excellent precision (CV=2-3%). The assay reached CV of 11.0% in pooled samples at a mean of 0.048μg/L. HS-Tg results are slightly higher than those from the conventional Siemens Tg assay. HS-Tg ≥ 0.2μg/L showed clinical sensitivity of 1.0 and specificity of 0.81 for predicting recurrence of DTC, which is superior to the Tg-ST protocol using 2μg/L as the cutoff. Two of six patients with HS-Tg results between 0.06-0.2 had a Tg-ST result of >2μg/L, but no recurrence. Conclusions: Although the HS-Tg cut-off of 0.2ug/L is a reliable alternative to Tg-ST in most cases, these tests show divergent results in a proportion of patients making transition from one test to another challenging. Further studies are required to determine the clinical significance of HS-Tg between 0.06-0.2 μg/L.
Anticoagulation Clinical Pharmacist: Anticoagulation Care between the Headset and the Dial Pad
Authors:   Department of Clinical Pharmacy, Hamad General Hospital, Hamad Medical Corporation, Doha, Qatar, A Eltahir , M Javed ,   Department of Clinical Pharmacy, Hamad General Hospital, Hamad Medical Corporation, Doha, Qatar, A El-Bardissy ,   Department of Clinical Pharmacy, Hamad General Hospital, Hamad Medical Corporation, Doha, Qatar, I Abdallah ,   Department of Clinical Pharmacy, Hamad General Hospital, Hamad Medical Corporation, Doha, Qatar, M Abdelgelil ,   Department of Clinical Pharmacy, Hamad General Hospital, Hamad Medical Corporation, Doha, Qatar, A Mohamed ,   Department of Clinical Pharmacy, Hamad General Hospital, Hamad Medical Corporation, Doha, Qatar
Published: May 2021

Anticoagulant is a class of medication that saves lives while carries an intrinsic risk of harm. The American College of Chest Physicians Consensus Conference on Antithrombotic Therapy for the first time in 1995 endorsed the setting of specialized anticoagulation clinics instead of usual medical care. Recently telemedicine is not a brand-new method of patient care, yet, telemedicine utilization has increased dramatically during the last year to comply with the curfew that most cities of the world had to apply to reduce the spread of COVID-19. Telemedicine and especially anticoagulation care need careful systems, the minimum infrastructure of patient records including telephone contact number, facility telephone, and clinic appointment system. The top three challenges when applying telehealth are payment, confidentiality, and un-updated patients’ information.
Crystal Structure and Optical Properties of a Homometallic Heterotrinuclear Europium(III) Complex – a Cationic Eu(III) ion Coordinated by two [Eu(III)DOTA]- Complexes
Authors: Thomsen Maria Storm , Østergård Madsen Ander , Sørensen Thomas Just
Published: May 2021

The structure and solid state luminescence properties of a homometallic heterotrinuclear [Eu(μO)5(OH2)3][Eu(DOTA)(H2O)]2Cl crystal was determined and was found to have two sites: a free europium(III) ion and a [Eu(DOTA)(H2O)]- complex. The trinuclear compound crystallizes in a laminar structure in triclinic space group P. The crystal structure was determined using complex data treatment due to non-merohedric twinning. Experimental data sets were recorded with large redundancy and separated according to scattering domain in order to obtain a reliable structure, which revealed the configuration of the europium(III) sites. In first site, the europium(III) 1,4,7,10-tetrazacyclododecane-1,4,7,10-tetraacetate (Eu.DOTA) complex was found to adopt a capped twisted square antiprismatic (cTSAP) conformation, where a capping water molecule increased the coordination number of the europium(III) site to nine (CN = 9). In the second site, the cationic europium(III) ion was found to be coordinated by three water molecules and five oxy groups from neighboring [Eu(DOTA)(H2O)]- complexes. The coordination geometry of this site was found to be a compressed square antiprism (SAP), and the coordination number of the europium(III) ion was found to be eight (CN = 8). A large increase in rate constant of luminescence was observed for Eu(III) in [Eu(DOTA)(H2O)]- in solid state luminescence spectroscopy measurements compared to in solution, which lead to investigations of single-crystals in deuterated media to exclude additional effects of quenching. We conclude that the most probable cause of the decrease in observed luminescence lifetimes is the high asymmetry of the coordination environment of [Eu(DOTA)(D2O)]- in the [Eu(μO)5(OD2)3][Eu(DOTA)(D2O)]2Cl crystals
X-Ray Transient Absorption Reveals the 1Au (Nπ*) State of Pyrazine in Electronic Relaxation
Authors: Scutelnic Valeriu , Tsuru Shota , Pápai Mátyás Imre , Yang Zheyue , Epshtein Michael , Xue Tian , Haugen Eric , Kobayashi Yuki , Krylov Anna , Møller Klaus Braagaard , Coriani Sonia , Leone Stephen
Published: May 2021

Electronic relaxation in organic chromophores often proceeds via states not directly accessible by photoexcitation. We report on the photoinduced dynamics of pyrazine that involves such states, excited by a 267 nm laser and probed with X-ray transient absorption spectroscopy in a table-top setup. In addition to the previously characterized 1B2u (ππ*) (S2) and 1B3u (nπ*) (S1) states, the participation of the optically dark 1Au (nπ*) state is assigned by a combination of experimental X-ray core-to-valence spectroscopy, electronic structure calculations, nonadiabatic dynamics simulations, and X-ray spectral computation. Despite 1Au (nπ*) and 1B3u (nπ*) states having similar energies at relaxed geometry, their X-ray absorption spectra differ largely in transition energy and oscillator strength. The 1Au (nπ*) state is populated about 200 femtoseconds after electronic excitation and plays a key role in the relaxation of pyrazine to the ground state.
Evolution of the Flax Cell Wall Composition During Development and After Gravitropism by Synchrotron Fluorescence Imaging
Authors: Johnny Beaugrand , Alvarado Camille , Devaux Marie-Francoise , Rivard Camille , Durand Sylvie , Chauvet Hugo , Réfrégiers Matthieu , Jamme Frédéric , Guillon Fabienne , Bourmaud Alain , Baley Christophe , Goudenhooft Camille , beaugrand johnny
Published: May 2021

Flax lodging is an issue of great interest for producers due to its economic impact. To better understand its effects at the cell wall and stem scale, new knowledge regarding the cell wall composition dynamics during cell wall development and after a 90° tilt bending stress is reported. Deep-Ultra Violet fluorescence emission (DUV) dynamics recorded at the Synchrotron SOLEIL-DISCO beamline by multichannel autofluorescence imaging is reported for five cellular wall types of flax stems after an artificially induced gravitropic reaction. Three flax growth development stages, namely, the vegetative stage (VS), the fast growth (FG) and the mature stage (MS), were selected in normal plants, referred to as the control plants, or in gravitropic-induced response plants, referred to as 90° tilted plants.
Structure, in Vivo Detection and Anti-Bacterial Activity of Metabolites of SQ109, an Anti-Infective Drug Candidate
Authors: Malwal Satish , Zimmerman Matthew D. , Alvarez Nadine , Sarathy Jansy , Dartois Veronique , Nacy Carol A. , Oldfield Eric
Published: May 2021

SQ109 is a drug candidate for the treatment of tuberculosis (TB). It is thought to target primarily the protein MmpL3 in Mycobacterium tuberculosis, but it also inhibits the growth of some other bacteria, as well as fungi and protozoa. SQ109 is metabolized by the liver, and it has been proposed that some of its metabolites might be responsible for its activity against TB. Here, we synthesized six potential P450 metabolites of SQ109 and used these as well as 10 other likely metabolites as standards in a mass spectrometry study of M. tuberculosis-infected rabbits treated with SQ109, in addition to testing all 16 putative metabolites for anti-bacterial activity. We found that there were just two major metabolites in lung tissue: a hydroxy-adamantyl analog of SQ109 and N’-adamantylethylenediamine. Neither of these, or the other potential metabolites tested, inhibited the growth of M. tuberculosis, or of M. smegmatis, Bacillus subtilis or E. coli, making it unlikely that an SQ109 metabolite contributes to its anti-bacterial activity. In the rabbit TB model, it is thus the gradual accumulation of non-metabolized SQ109 in tissues to therapeutic levels that leads to good efficacy. Our results also provide new insights into how SQ109 binds to its target MmpL3, based on our mass spectroscopy results which indicate that the charge in SQ109 is primarily localized on the geranyl nitrogen, explaining the very short distance to a key Asp found in the X-ray structure of SQ109 bound to MmpL3. Our results also suggest that it is intact SQ109 that is likely to target some of the other bacteria, fungi and protozoa in which MmpL3-like proteins have recently been reported.
In0.5Ga0.5N Layers by Atomic Layer Deposition
Authors: Rouf Polla , Palisaitis Justinas , Bakhit Babak , O'Brien Nathan , Pedersen Henrik
Published: May 2021

We present an ALD approach to metastable In1‑xGaxN with 0.1 < x < 0.5 based on co-sublimed solid In- and Ga-precursors that were co-sublimed into the deposition chamber in one pulse. A near In0.5Ga0.5N film with a bandgap of 1.94 eV was achieved on Si (100) substrate. Epitaxial In1‑xGaxN (0002) was successfully grown directly on 4H-SiC (0001).
DART: Deep Learning Enabled Topological Interaction Model for Energy Prediction of Metal Clusters and its Application in Identifying Unique Low Energy Isomers
Authors: Modee Rohit , Agarwal Sheena , Verma Ashwini , Joshi Kavita , Priyakumar U. Deva
Published: May 2021

Recently, Machine Learning (ML) has proven to yield fast and accurate predictions of chemical properties to accelerate the discovery of novel molecules and materials. The majority of the work is on organic molecules, and much more work needs to be done for inorganic molecules, especially clusters. In the present work, we introduce a simple Topological Atomic Descriptor called TAD, which encodes chemical environment information of each atom in the cluster. TAD is a simple and interpretable descriptor where each value represents the atom count in three shells. We also introduce the DART, Deep Learning Enabled Topological Interaction model, which uses TAD as a feature vector to predict energies of metal clusters, in our case Gallium clusters with size ranging from 31 to 70 atoms. DART model is designed based on the principle that energy is a function of atomic interactions and allows us to model these complex atomic interactions to predict the energy. We further introduce a new dataset called GNC_31-70, which comprises structures and DFT optimized energies of Gallium clusters with sizes ranging from 31 to 70 atoms. We show how DART can be used to accelerate the identification of ground-state structures without geometry optimization. Albeit using topological descriptor, DART achieves MAE of 3.59 kcal/mol (0.15 eV) on testset. We also show that our model can distinguish core and surface atoms in the Ga-70 cluster, which the model has never encountered earlier. Finally, we demonstrate the transferability of DART model by predicting energies for about 6k unseen configurations picked up from Molecular Dynamics (MD) data for three cluster sizes (46, 57, and 60) within seconds. The DART model was able to reduce the load on DFT optimizations while identifying unique low energy structures from MD data.
Complexation of C-Functionalized Cyclams with Copper(II) and Zinc(II): Similarities and Changes When Compared to Parent Cyclam Analogues
Authors: Lelong Evan , Suh Jong-Min , Kim Gunhee , Esteban-Gómez David , Cordier Marie , Lim Mi Hee , Delgado Rita , Royal Guy , Platas-Iglesias Carlos , Bernard Hélène , Tripier Raphael , Raphael Tripier
Published: May 2021

Herein, we report a comprehensive coordination study of the previously reported ligands cyclam, CB-cyclam TMC, DMC, CB-DMC, and of their C-functional analogues, cyclam-E, CB-cyclam-E, TMC-E, DMC-E and CB-DMC-E. This group of ligands includes cyclam, cross-bridged cyclams, their di- or tetramethylated derivatives and the analogues bearing an additional hydroxyethyl group on one β-N position of the ring. These Cu(II) and Zn(II) complexes of these macrocycles have been highlighted previously for the biological interest, but the details of their structures in the solid state and in solution remained largely unexplored.
Kinetics of Alkaline Hydrolysis of Synthetic Organic Esters
Authors: Maeng Do Young , McNeill V. Faye
Published: May 2021

Manuscript with supporting information describing novel experimental data on the alkaline hydrolysis of synthetic esters, relevant to chemistry in the indoor environment
Insights into Hydrogen Evolution Reaction on 2D Transition Metal Dichalcogenides
Authors: Wang Zhenbin , Tang Michael , Cao Ang , Chan Karen , Nørskov Jens Kehlet
Published: May 2021

Understanding the hydrogen evolution reaction (HER) behaviors over 2D transition metal dichalcogenides (2D-TMDs) is critical for the development of non-precious HER electrocatalysts with better activity. In this work, by combining density functional theory calculations with microkinetic modelling, we thoroughly investigated the HER mechanism on 2D-TMDs. We ﬁnd there is an important dependence of simulated cell size on the calculated hydrogen adsorption energy and the activation barrier for MoS2. Distinct from previous “H migration” mechanisms proposed for the Heyrovsky reaction − the rate-determining step for MoS2, we propose the Mo site only serves as the stabilized transition state rather than H adsorption. In comparison to transition metal electrocatalysts, we ﬁnd that the activation barrier of the Heyrovsky reaction on 2D-TMDs scales with the hydrogen adsorption energy exactly as for transition metals except that all activation energies are displaced upwards by ca. 0.4 eV. This higher Heyrovsky activation barrier is responsible for the substantially lower activity of 2D-TMDs. We further show that this higher activation barrier stems from the more positively charged adsorbed hydrogen on the chalcogenides interacting repulsively with the incoming proton. Based on these insights, we discuss potential strategies for the design of non-precious HER catalysts with activity comparable to Pt.
The influence of plant saponins on the elasticity parameters of the great arteries in patients with multifocal atherosclerosis
Authors: Bogdanov Alfred R. , Pyko Mariia E. , Romanova Tatiana A. , Fedulaev Yuri N.
Published: May 2021

Background. Among the goals of pathogenetic therapy in patients with multifocal atherosclerosis, not only control of the intensity of atherogenesis, but also the elastic properties of the arterial system is becoming increasingly important, which opens up additional ways to reduce overall and cardiovascular mortality in this category of patients.
Aim. To evaluate effectiveness of medication Vazosponin (ZAO Vifitekh, Russia), which is a source of plant saponins in a dosage 400 mg per day, on the indicators of the elasticity of the great arteries.
Materials and methods. The study included 100 patients with multifocal atherosclerosis: those who had had myocardial infarction or percutaneous coronary intervention during the previous 2 1 2 months and who had stenosing atherosclerosis of peripheral arteries brachiocephalic arteries and/or arteries of the lower extremities. The main group MG (n=50) consisted of patients who received combined hypolipidemic treatment: atorvastatin in dosage 40 mg/day + Vazosponin 400 mg/day along with baseline treatment. The control group (CG) included 50 patients who received only atorvastatin in dosage 40 mg/day along with baseline treatment. The observation period for each patient was 90 days with 3 control points (on the 1st, 10th and 90th days of therapy), in which were evaluated the elasticity indicators of the main arteries pulse wave velocity, linear blood flow velocity, total peripheral vascular resistance, actual specific vascular resistance.
Results. There was a decrease in pulse wave velocity in both groups by the 90th day of the study, with a significant advantage in the group of patients who received Vazosponin: in the CG the indicator decreased by 7.3% (p0.05), in the MG by 19.3% (p0.05). The decrease in linear blood flow velocity was 14.3% (p0.05), in the CG the indicator decreased by 5.7% (p0.05). The dynamics of peripheral vascular resistance indicators showed an obvious advantage in the group of patients who received plant saponins: in the MG of patients, a decrease in total peripheral vascular resistance was detected by an average of 11.0% (p=0.006) and actual specific vascular resistance by 39.3% (p=0.0008), while in the CG by 4.5% and 5.0%, respectively.
Conclusion. The addition of Vazosponin to the basic therapy of patients with multifocal atherosclerosis made it possible to achieve an additional increase in the elasticity of the arterial system, a significant decrease in peripheral vascular resistance, and the elimination of the escape effect of basic therapy. The data presented make it possible to consider the possibility of using preparations of plant saponins in combination therapy of patients with multifocal atherosclerosis who have instrumentally verified violations of the elastic properties of the arterial system.
Pitavastatin: focus on safety and drug interactions
Authors: Minushkina Larisa O. , Zateyshchikov Dmitry A.
Published: May 2021

Pitavastatin is a drug from the group of HMG-CoA reductase inhibitors, which has good lipid-lowering efficacy and has no significant effect on the risk of diabetes mellitus. This drug is non significantly metabolized by the P450 cytochrome system, which minimizes the risk of possible drug-drug interactions. Peptide organic anionic transporter inhibitors also may affect the efficacy and safety of the drug. This review summarizes the data on the problems of drug interactions of pitavastatin.
Predicting the coronary atherosclerosis severity in cardiac patients
Authors: Fedulaev Yuri N. , Makarova Irina V. , Pinchuk Tatiana V. , Arakelov Sergey E. , Titova Irina Y.
Published: May 2021

Background. Coronary atherosclerosis is an ongoing pathological process, varying from asymptomatic forms to angina pectoris, myocardial infarction and even sudden cardiac death. Early identification of persons with an increased risk of the severe atherosclerosis will promote adequate diagnostic and therapeutic measures to prevent cardiovascular complications.
Aim. To make a prognostic model determining the probability of a severe coronary atherosclerosis in cardiac patients.
Material and methods. The actual study included 116 patients of cardiology departments with various degree of coronary atherosclerosis measured by coronary angiography: group I 70% coronary stenosis (50% in case of left main coronary artery), group II those with less severe atherosclerotic process. All patients underwent electrocardiography (ECG) at rest and Holter monitoring. Pathological Q-waves, qualitative and quantitative characteristics of ventricular extrasystoles as well as QRS-fragmentation were assessed in all cases. In individuals having sinus rhythm, heart rate turbulence (HRT), T-wave alternans and QT, QTc dispersion on maximum and minimum heart rate were additionally calculated.
Results. The prognostic model included the following ECG-markers: HRT, pathological Q-waves, QTc dispersion on maximum heart rate and QRS-fragmentation in lateral leads (I, AVL, V6). All parameters have demonstrated a direct relationship with the likelihood of severe coronary atherosclerosis. The current model took into account 71% of the factors influencing significant atherosclerosis, AUC=0.940.04, the sensitivity and the specificity were 90.0 and 94.4% respectively.
Conclusion. A comprehensive assessment of the ECG data helps to identify the group with an increased risk of severe coronary atherosclerosis among cardiac patients.
Stenotic remodeling of coronary vessels in the elderly patients with high cardiovascular risk and the presence of multifocal atherosclerosis
Authors: Khasanov Azat K. , Bakirov Bulat A. , Kudlay Dmitry A. , Karamova Irina M.
Published: May 2021

Aim. Identifying persons who are distinguished by an increased frequency of stenosing atherosclerosis of the coronary arteries also affects the process of identifying the features of the analyzed disease.
Material and methods. The main research method was the method of hierarchical analysis of categorical variables. At the same time, they differentiated into 3 clusters depending on the age and duration of the disease. The age of the analyzed patients is from 61 to 75 years. For diagnostics, a general assessment of the clinical condition, coronary angiography, and echodopleroscopy of a number of carotid and lower limb arteries were performed. The research base is the Regional Vascular Center of Ufa.
Results. The work revealed that the age-related feature of 65+ is a stable lesion of the coronary vessels. At the same time, it was determined that both men and women suffer from this.
Conclusion. It has been shown that this is characterized by an increased frequency of stenosing-type remodeling.
The role of markers of endothelial dysfunction, oxidative and cellular stress in the prediction of myocardial infarction in comorbid patients with stable coronary heart disease
Authors: Kotova Yuliya A. , Zuikova Anna A. , Strahova Natalia V. , Krasnorutskaya Olga N. , Esina Elena Y.
Published: May 2021

Aim. To study the role of markers of endothelial dysfunction, oxidative and cellular stress in the prediction of myocardial infarction (MI) in comorbid patients with stable coronary heart disease (CHD).
Material and methods. The study involved 336 patients with a diagnosis of CHD. The presence of CHD was confirmed by diagnostic coronary angiography with the calculation of the Gensini index. All patients were divided into 2 groups: group 1288 patients without a history of MI, group 248 patients with a history of MI. All patients were assessed for the levels of oxidized modified proteins, high-sensitivity C-reactive protein (hs-CRP), homocysteine, heat shock protein (HSP70), and superoxide dismutase activity.
Results. All patients were comparable in age. For other clinical and anthropometric characteristics, we saw significant differences (according to the MannWhitney criterion): patients with previous MI had higher BMI, waist circumference, and blood pressure. The correlation analysis revealed positive significant average strength relationships between past MI and the Gensini index, low-density lipoprotein level, total cholesterol level, homocysteine level, hs-CRP level, and the level of oxidized modified proteins; and negative significant average strength relationships between past MI and SOD activity level (r=-0.374, p=6.4 E-07) and HSP70 level (r=-0.563, p=2.6 E-15). The ROC analysis revealed that not all markers were significant in predicting the risk of MI. It is shown that the most expected characteristics were shown by the hs-СRP. However, further analysis of the predictive significance of the markers demonstrated that the addition of HSP70 to hs-CRP increases the predictive significance of hs-CRP in relation to the risk of developing MI.
Conclusion. We have demonstrated that a strategy using a cumulative risk assessment consisting of 2 biomarkers (individually involved in inflammation and stress-induced cellular responses) can identify patients with an established diagnosis of CHD who have an increased risk of acute MI.
Migraciones y Desplazamientos Forzados. Nuevas aproximaciones y contribuciones al estudio de la migración contemporánea
Authors:   Universidad de Santiago de Chile, Palomera Adriana , Herrera Simon
Published: May 2021

En las últimas décadas Chile no ha estado ajeno a las dinámicas de aumento de la inmigración originando un fuerte impacto en la opinión pública. En este escenario, se debe sumar el cierre de fronteras producto de la pandemia y de las políticas de seguridad instaladas por algunos gobiernos, quedando múltiples grupos de inmigrantes y de refugiados sujetos a una mayor indefensión. El presente libro es fruto del quehacer académico de investigadores jóvenes titulados de Analistas en Políticas y Asuntos Internacionales de la Universidad de Santiago de Chile, que han encontrado en los desplazamientos humanos un lugar para desarrollar sus primeros acercamientos a la investigación y que representan el interés por la temática de las nuevas generaciones. Con la finalidad de fomentar el trabajo realizado por estos jóvenes investigadores en el área migratoria y potenciarlos, resulta esencial la difusión de sus propuestas con una publicación como esta, convirtiéndose dicho objetivo en uno de los principales fines de este texto.
Factors of innovative development of engineering companies: Management aspect
Authors: Zotov V. M.
Published: May 2021

The innovative nature of an engineering company has such indicators as the presence of innovative products on the market; developing/acquiring innovations costs; the number of patents applied for during the year. In addition to these external innovation properties, the existence of emergent quality of the company determines a whole range of internal and external factors. The relevance of this paper is to study them. Also, the main purpose is to identify the most common obstacles that arise in the way of innovative growth of national companies. The research methodology consisted in conducting a survey of representatives of the top management of engineering companies and analyzing the answers. It allowed to outline the general problem of innovation management in the national economy, as well as to identify the most signiﬁcant factors that determine the innovation of companies to a greater or lesser extent. As a result, the article provides a meaningful interpretation of these factors and formulates hypotheses about their quantitative measurability. Practical testing of the proposals made on speciﬁc economic entities will allow to form a source data set for engineering of a standard management model of the company’s innovative growth. In turn, such model can be used as the basis for the appropriate corporate standard development.
Overcoming ambiguity in assessing the ﬁnancial sustainability of Crimean hospitality companies for anti-crisis management
Authors: Malyshenko V. A. , Malyshenko K. A.
Published: May 2021

The subject of the research is the system of methods of ﬁnancial management of a company, in which a contradictory situation of conﬂict of goals of its development has developed, with the obligatory occurrence of systemic crises on the one hand, and the rule of constant preservation of a low risk of ﬁnancial destabilization, on the other. The relevance of the study is due to the signiﬁcant distance of system analysis in its categories from strategic ﬁnancial analysis. Systemic destabilization of active investment outwardly looks the same as the end-of-life bankruptcy crisis, which signiﬁcantly distorts the perception of potential investors in the industry in general. The scientiﬁc novelty lies in the substantiation of a method that makes it moving from a simple identiﬁcation of the transitional (crisis) development stages of an unstable system (company) to the substantiation of the parameters of a strategic program, including within the framework of anti-crisis management. The aim of the research is to adapt analysis methods of the system’s crisis states to the provisions of the most system-oriented ﬁnancial analysis techniques have being applied to disclose the unstable states of the “system-enterprise”. The system analysis has been chosen as the research method in various areas of its manifestation: from a general philosophical description of unstable system with characteristics of a company’s life cycle to a model for assessing the company’s ﬁnancial stability for strategic purposes. The result of modeling the ﬁnancial condition of such unstable companies taking into account provisions of the system analysis, was the formulation of a new category of strategic ﬁnancial management — the Strategic zone for the ﬁnancial stability transformation, which serves as the basis for a long-term program for the transformation of the ﬁnancial condition. As a conclusion, it can be noted that applying of the ﬁnancial analysis method for strategic purposes (“Fregat” model) in a single connection with the system analysis provides the possibility to identify the most dangerous crises from the standpoint of the identiﬁcation complexity and consequences of the cochirid stage crises of the system development. Also, this allows to separate the investment (justiﬁed) destabilization from instability which could be the cause of wrong actions of the company’s management. All this makes it possible to objectively assess the macroeconomic indicators of the hospitality industry in general.
Dzieciństwo w biografii pisarza. Przypadek Brunona Schulza
Authors: Warska Katarzyna
Published: May 2021

The author considers childhood as an element of a writer’s biography, connected with the rest of his or her life in a complicated way. Under this approach, recounting the story of the writer’s childhood is the biographer’s duty, which he or she – striving to show the ‘truth’ – imposes on him- or herself, but does not necessarily fulfil. Biographers omit or reduce childhood for cultural reasons, based on the adopted convention, because of their own convictions, or simply due to the lack of sources. The author challenges all these reasons, arguing for the importance of childhood as a phase of human life.
Próba biografii akustycznej Brunona Schulza. Doświadczenia audialne
Authors: Skrzypczyk Aleksandra
Published: May 2021

The article analyzes the potential sonic experiences of Bruno Schulz. The numerous references to music in his prose inspire questions about Schulz’s attitude towards music. Based on the testimonies of his family and friends, it is impossible to determine Schulz’s opinion on the art of sounds, or whether he was musical and what kind of music he listened to. The ‘acoustic biography’ presented here becomes a metaphor for Schulz’s probable auditory experiences. Arranged in the chronological order, it respects the principles of probability, and is based on the historical and cultural context of 19th- and 20th-century Poland.