bluuebunny/crossref_metadata_2025 huggingface dataset:
Foot of Carrall: The Historical Maritime Gateway of Gastown
Authors: Williams Trevor
Published: July 2022

The arrival of the Canadian Pacific Railway in Coal Harbour in 1887 challenged the traditional public water access to the Burrard Inlet, as the street-end location at the foot of Carrall Street was the longstanding water access to the preceding community of Gastown. Vancouver City Wharf, the would-be public dock, shared this favoured location with boatbuilder Andrew Linton. City Wharf was sold to Union Steamships in 1889, which was a company that understood the meaning of being at this critical historical node. This article explores the history of this maritime gateway, explaining how the company heritage of Union Steamships is conjoined with that of Gastown at the foot of Carrall.

L’arrivée de la Compagnie de chemin de fer du Canadien Pacifique en 1887 a remis en question l’accès public traditionnel à la baie Burrard, étant donné que l’emplacement de Coal Harbour au pied de la rue Carrall avait servi pendant longtemps d’accès à l’eau pour la communauté de Gastown. Le quai de Vancouver, l’éventuel quai public, partageait cet emplacement privilégié avec le constructeur d’embarcations Andrew Linton. En 1889, le quai de Vancouver a été vendu à l’entreprise Union Steamships, qui comprenait bien l’importance d’occuper ce lieu historiquement dominant. Le présent article étudie l’histoire de cette porte d’entrée maritime et explique comment l’héritage de l’entreprise Union Steamships est lié à celui de Gastown au pied de la rue Carrall.
Canada’s Pacific Gateway to the Arctic
Authors: Greenwood Nigel
Published: July 2022

Pacific Gateway is a term that evokes the “All Red Route” of fashionable and elegant travel by Canadian Pacific Railway steamers or, less historically, global shipping patterns that have enabled Prince Rupert to post record growth as Canada’s third largest port. But the Pacific Northwest is also notably associated with “White Routes” – forays into polar waters that reflected accessibility and opportunity and that contradicted common notions of Arctic approaches. This article will explore the history of these western approaches, examining European explorers, economic and technological innovations, the impact of climate change, and current geopolitical developments that ensure Canada’s Pacific Gateway will remain significantly northern, as well as westwards, focused. Porte d’entrée du Pacifique est un terme qui évoque la « All Red Route » des voyages élégants et à la mode des bateaux à vapeur du chemin de fer Canadien Pacifique ou, d’un point de vue moins historique, les trajets d’expédition à l’échelle mondiale qui ont permis à Prince Rupert d’afficher une croissance record comme troisième plus grand port du Canada. Mais le Nord-Ouest du Pacifique est aussi particulièrement associé aux « routes blanches », les incursions en eaux polaires qui soulignaient l’accessibilité et les possibilités et qui contredisaient les notions communes d’approches arctiques. Cet article examine l’histoire de ces approches occidentales, notamment les explorateurs européens, les innovations économiques et technologiques, les repercussions des changements climatiques et les évolutions géopolitiques actuelles qui font en sorte que la porte d’entrée Canadienne du Pacifique restera considérablement axée sur le Nord et sur l’Ouest.
Análise da implementação da arbitragem tributária no Brasil
Authors: Isabela Bonfá de Jesus  , Milaré Toledo Santos Victória
Published: July 2022

O estudo tem como objetivo analisar e discutir a possibilidade de implantação do instituto da arbitragem tributária no âmbito do contexto jurídico brasileiro atual, especificamente considerando os Projetos de Lei atualmente em trâmite no Congresso Nacional, quais sejam os Projetos de Lei nº 4.257/2019 e 4.468/2020.

Busca-se delinear qual a real efetividade de aplicação do referido instituto no âmbito do Direito Tributário brasileiro e quais as implicações de tal medida ante à realidade atual, caracterizada pela ineficácia das medidas tradicionais de soluções de litígios no âmbito do contencioso.

O presente estudo objetiva compreender, através de extensa análise das regras prescritivas do direito positivo e preceitos da Ciência do Direito, as possíveis implicações das aprovações dos referidos Projetos de Lei, resultando na consequente introdução e implementação da arbitragem tributária.

Neste contexto, o presente trabalho utilizará da linguagem científica com o intuito de explorar estas regras constitucionais e demais normas tributárias delas decorrentes, tentando-se responder à indagação quanto à possibilidade ou não de implementação da arbitragem tributária no Brasil diante do atual ordenamento jurídico.
Acesso à justiça: atuação cooperativa em um cenário de múltiplas portas
Authors: Soares Moura Gisele Luiza , Dufloth Simone Cristina
Published: July 2022

O objetivo deste artigo é o de analisar o acesso à justiça em um contexto mais amplo, ou seja, sob a ótica do uso de métodos alternativos de solução de conflitos, bem como a importância da atuação conjunta de diversos atores, como os entes públicos, na consolidação dos métodos autocompositivos, notadamente a conciliação e a mediação. O presente estudo almeja abordar o fenômeno por meio de uma linguagem clara de forma que o cidadão compreenda o exposto, uma vez que se trata de um tema recente e de interesse da sociedade haja vista a crise do Poder Judiciário. Para melhor compreensão da questão em estudo, foi utilizado primordialmente o tratamento descritivo, mediante revisão da literatura e pesquisa documental. Ademais, para entender o contexto da autocomposição no Brasil foram analisados os principais diplomas legais, os CEJUSCs existentes na Justiça estadual, bem como o ambiente de parcerias, em especial com entes públicos, no qual as atividades autocompositivas ocorrem. Na esfera da Administração Pública, foram retratadas as iniciativas já existentes de solução administrativa de conflitos.  As perspectivas são como peças de um quebra-cabeças que, juntas, permitem a visualização do cenário de forma mais ampla, mas a partir das peculiaridades individualmente observadas. Sob diferentes ângulos a atuação dos entes públicos viabiliza e torna mais concreta a ampliação do uso de métodos extrajudiciais de solução de controvérsias.
Breves considerações sobre a arbitragem tributária no sistema português – âmbito e tramitação do processo
Authors: Varregoso Mesquita  (Autora Convidada) Lurdes
Published: July 2022

Os meios de resolução extrajudicial de conflitos têm já um espaço consolidado no ordenamento jurídico português onde a administração da justiça é composta por um sistema multifacetado, com mecanismos de resolução de litígios auto e heterocompositivos. Em matéria tributária, a tutela dos contribuintes é feita pela via judicial, através dos tribunais administrativos e fiscais, mas também, em alternativa, através da arbitragem tributária, cuja competência é, em todo o caso, limitada em razão da matéria e em razão do valor. Como é evidente, estes mecanismos são fundamentais na construção de um sistema de justiça que se mostre completo, adequado, célere, eficaz e eficiente. Por isso, a arbitragem tributária, cujo âmbito e processo serão objeto de análise, éum mecanismo recomendado para melhorar e sustentar a arquitectura judicial e a moderna administração da justiça.
Use of Chitosan-based Dressings for the Management of a Chronic Lower Limb Ulcer: A Case Report
Authors: Kulkarni Madhukar , Deshpande Sanjay , Lokapure Sumedh
Published: July 2022

Introduction. Nonhealing ulcers are difficult to manage because they deviate from the normal wound healing process. The standard treatment with saline dressings is not efficient in treating patients with such wounds; advanced wound care dressings are needed. Chitosan-based advanced wound dressings are gaining popularity because of their unique characteristics, such as absorbency, conformability, and pain alleviation at the wound bed. A case of an ulcer that developed after cellulitis and healed with application of a chitosan-based dressing is presented. Case Report. An 81-year-old female with hypertension was admitted to the hospital with a high-grade fever, generalized weakness, anorexia, and right lower limb pain with redness. Venous insufficiency in the right lower limb in the form of early insufficiency at the right saphenofemoral and saphenopopliteal junctions along with right leg varicosities was evident on color Doppler ultrasound. A diagnosis of cellulitis was made; the patient was treated with antibiotics and discharged from the hospital. The cellulitis progressed, and an incision and drainage of the right leg was performed on the second admission. The patient was admitted twice more, and the wound was surgically debrided twice and antibiotics were administered. During this period, the patient was treated with saline dressing changes for almost 4 weeks. Because the wound was nonhealing and infected during the fourth hospital admission, chitosan-based dressings were used. Daily dressing changes for 10 days resulted in 100% granulation tissue. Later, the patient underwent skin grafting and was eventually discharged. Conclusions. The use of chitosan-based dressings resulted in progression to complete granulation, along with the management of exudate, pain, and Pseudomonas infection. The results of this case suggest patients with nonhealing ulcers may benefit from early use of advanced wound care dressings.
Histopathological Effects of Phytoestrogrn (Genistein) on Thymus Gland of Adult and Post-Natal Female Albino Mice
Authors: Ibrahim Zozan Abdullah , Waheed Intissar Numman
Published: July 2022

This study aimed to evaluate how genistein affected the weight and histological structure of the thymus gland in adult and postnatal (P22) female albino mice. Fifteen adult female albino mice and fifteen postnatal (P22) female albino mice were used and divided between two experiments. The animals were divided into three groups (n=5) in each experiment: Group (I), the control group, Group (II), and Group (III), which received 10mg and 50mg genistein/ kg B. W. respectively. In comparison to the control, treatment with 50mg genistein resulted in a significant increase in the weight of the thymus gland in both adult and postnatal mice.  When compared to control, treatment with 10mg genistein resulted in a significant increase in this weight in adult females and a significant decrease in the weight of this gland in postnatal mice. Both genistein concentrations had a negative impact on the gland’s histological features. The formation of a "Starry sky" in cortical and medullary regions, an increase in the thickness of regions due to an increase or decrease in the number of T cells depending on genistein concentration, as well as histiocyte hyperplasia and blood vessel congestion, are among these consequences. In conclusion, because genistein affects thymic tissue negatively, it has the potential to create thymic and immunological diseases.
Effects of Noise Pollution on Zakho University Students at Two Faculty of Science Buildings
Authors: Basheer Thabit Elias , Omar Omar Salih , Hashim Suzan Khalid
Published: July 2022

Noise is a type of pollution that has a negative impact on human health and well-being. Because of population growth and urbanization, the magnitude and severity of noise pollutionare increasing. This study examines the level of noise throughout Zakho university-faculty of science buildings. Noise levels were measured using a sound level meter at two campus buildings at five different times (9:00 AM –2:00 PM). A total of 180 students (98 females, 82 males) were questioned to collect data. The noise levels were highest at the ground floor of building one were at (11:00AM-12:00PM) and (12:00-1:00 PM), respectively, changing from 60.6 to 73.7 dB at (11:00 AM-12:00 PM) and 63.3-73.8 dB at (12:00-1:00 PM) (12-1:00 PM). These results could be due to students taking a lunch hour after 12:00PM and visiting a café at this site.  The most prevalent direct impact of noise on students was feeling annoyed, which affected 23% of students, followed by headache (18%) and so on. Noise has psychological effects on students such as anxiety (6%) and sleep problems (4%) which all have a low percentage. Lastly, memory lapse (2%) and fatigue (3%) impact on students had a lower proportion when compared to other impacts. However, there was 22% of students did not affect by noise.
Analysis of Counseling Contents for Sexual Offenses against Children and Youth : Focused on Digital Sexual Offenses
Authors:   The Korean Association of Criminal Psychology, Kim Jeong Hyeon , Lee Hyeon Suk , Kim Yu Jin , Kang Sun Hye , Seok Hee Jin , Jung Hee Jin
Published: July 2022

This study utilized large counseling contents involving victimization of sexual offenses against children and youth, collected over past five years at the sexual violence counseling center. We applied a text mining method to preprocess and analysis the content data, then tried to identify the characteristics of the counseling. Also, we analyzed the counselings by dividing them into digital sex crimes, and the meaning and context of the derived keywords were examined. First, the result of word-cloud for all the counseling contents was presented to examine the specific meaning and context of keywords. Next, a heat map as visualization was applied by assigning relative values to the keywords derived by dividing the contents of counseling for whether they were digital sexual offenses. According to the frequency analysis of counseling contents by year, it was found that over the past five years, the number of traditional offline sex crime victimization reports has decreased, while the number of digital sex crimes has increased. In addition, it was found that keywords were classified if they were divided as digital sex crimes. A network analysis for CONCOR(convergence of iterated correlations) procedure was conducted to examine the relationship between the keywords derived from the content analysis. As a result, groups were divided into two groups according to whether they were digital sex crimes and each group had two sub-groups in context. Based on the keywords included in the group, the contextual meaning was inferred, and we discussed issues that occur in the field when sexual offences against children and youth happen.
THE ROLE OF OXIDATIVE STRESS IN THE DEVELOPMENT OF INTRAHEPATIC CHOLESTASIS OF PREGNANCY AND ITS OBSTETRIC AND PERINATAL COMPLICATIONS
Authors:   Gomel State Medical University, Gomel, Belarus, Bik-Mukhametova Ya. I. , Zakharenkova T. N. ,   Gomel State Medical University, Gomel, Belarus, Kozlov A. Ye. ,   Institute of Radiobiology of the National Academy of Sciences of Belarus, Gomel, Belarus
Published: July 2022

Objective. To determine the significance of oxidative stress in the pathogenesis of obstetric and perinatal complications in pregnant women with different course of intrahepatic cholestasis (IHC). Material and methods. 59 women with IHC of pregnancy and 30 patients without IHC were examined. The total concentration of nitrite and nitrate ions and thiobarbituric reactive substances (TBARS) in the blood serum of women with IHC was determined, their prognostic significance as predictors of maternal and perinatal complications was analyzed. Results. IHC is accompanied by the development of oxidative stress (Р<0.0001) and endothelial dysfunction (Р(U)=0.013). Determination of the concentration of TBARS in the blood serum of women with IHC allows predicting meconium staining of amniotic fluid (TBARS>17.64 µmol/l, Se=75.0%, Sp=84.3%; AUC=0.820; 95% CI 0,698- 0,908; p=0.0007), preterm labour with a symptomatic course of IHC (TBARS>14.25 µmol/l, Se=100.0%, Sp=71.4%; AUC=0.875; 95% CI 0.635-0.979; p=0.002) and the development of respiratory distress-syndrome in children born to patients with IHC (TBARS>17.32 µmol/l, Se=71.4 %, Sp=75.6%; AUC=0.775; 95% CI 0.648-0.874; p=0.0005). Conclusion. Oxidative stress is an essential link in the pathogenesis of IHC and its obstetric and perinatal complications.
ОСОБЕННОСТИ ПРИМЕНЕНИЯ ЗЕРКАЛЬНОЙ ВИЗУАЛЬНОЙ ОБРАТНОЙ СВЯЗИ У ПАЦИЕНТОВ С ФАНТОМНЫМИ БОЛЯМИ В КОНЕЧНОСТЯХ В УСЛОВИЯХ АТИПИЧНОГО ПОЛОЖЕНИЯ ФАНТОМА
Authors:   Grodno State Medical University, Grodno, Belarus, But-Husaim U. U. , Pirahova L. A. ,   Grodno State Medical University, Grodno, Belarus, Yarosh A. S. ,   Grodno State Medical University, Grodno, Belarus, Vasilevsky S. S. ,   Grodno University Clinic, Grodno, Belarus, Sirytsyna Y. Ch. ,   Grodno State Medical University, Grodno, Belarus, Haltseu A. S. ,   Non-commercial project “MyoTriton”, Minsk, Belarus, Haltseu S. H. ,   Non-commercial project “MyoTriton”, Minsk, Belarus, Kapytski A. V. ,   Grodno State Medical University, Grodno, Belarus, Czmiel V. N. ,   Independent Public Healthcare Center in Miedzyrzec Podlaski, Miedzyrzec Podlaski, Poland, Stepiankova D. V. ,   Grodno Regional Clinical Hospital of Medical Rehabilitation, Grodno, Belarus
Published: July 2022

One of the most interesting methods of neurorehabilitation is Mirror Visual Feedback (MVF). Despite the widespread information about effectiveness of MVF, specialists who have previously used this method but have not achieved positive results when working with patients, have many questions about the specific features of its application. Objective. The aim of our study was evaluation of the MVF effectiveness for reducing the severity of phantom pain in an amputated limb in the presence of atypical phantom location. Material and Methods: The study involved 29 patients with phantom limb pain. The severity of pain and quality of life were assessed. Results: It was found that the effectiveness of the MVF depends on some important factors, such as a discrepancy between the location of the phantom at the level of sensations and in reflection, duration and severity of the pain syndrome. Conclusions. An important factor in the successful results of the MVF application is assessment of the initial position of the phantom and ability to change its position in space at the sensory level. A decrease in the severity of phantom pain can create in the long-term the illusion that the patient has adapted to the problem. The timing and frequency of the MVF course should be selected individually, depending on the duration, severity of phantom pain and patient fatigue. It is assumed that the use of MVF in the early period after amputation prevents the development of phantom pain, which requires further research in this direction.
COMPARATIVE CHARACTERISTICS OF N-ACETYLCYSTEINE AND DEXAMETHASONE EFFECTS ON THE INDICATORS OF OXIDATIVE STRESS AND ANTIOXIDANT DEFENCE IN EYE TISSUES IN UVEITIS
Authors:   Grodno State Medical University, Grodno, Belarus, Marmysh V. G. , Krasilnikova V. L. ,   Belarusian Medical Academy of Postgraduate Education, Minsk, Belarus, Ilina S. N. ,   Grodno State Medical University, Grodno, Belarus, Gulyai I. E. ,   Grodno State Medical University, Grodno, Belarus
Published: July 2022

Objective. To study the effects of N-acetylcysteine (NAC), dexamethasone and their combination on the parameters of lipid peroxidation (LPO) and antioxidant defense (AOD) in the posterior segment tissues of rabbit eye under experimental immunogenic uveitis (EIU). Material and methods. The experimental study was carried out on 45 rabbits (90 eyes), 5 of which were intact. The animals with EIU were divided into 8 groups (5 animals each) in which daily intramuscular injections of placebo, NAC, dexamethasone or a combination of NAC and dexamethasone were used for 3 or 7 days. Subsequently the content of LPO products, concentration of reduced glutathione, oxidized glutathione and their ratios, activity of superoxide dismutase and catalase enzymes as well as the total antioxidant activity were determined in the posterior segment tissues of the rabbit eyes. Results. Application of NAC led to a significant decrease in the concentration of LPO products, as well as a significant elevation of AOD parameters. Dexamethasone had a negative effect on the glutathione system in the tissues of the eye. The combined use of NAC and dexamethasone revealed the synergism of their pharmacological action and made it possible to increase the overall antioxidant potential of the therapy. Conclusion. NAC parenteral administration showed a pronounced antioxidant effect. Combination therapy with NAC and dexamethasone significantly increased effectiveness of the treatment. The data obtained allows recommending NAC administration as part of the complex therapy of uveitis.
PROGNOSTIC EVALUATION OF SOME INDICATORS OF NUTRITIONAL STATUS IN PATIENTS WITH DIABETIC FOOT SYNDROME
Authors:   Mogilev Regional Clinical Hospital, Mogilev, Belarus, Stavchikov E. L. , Zinovkin I. V. ,   Mogilev Regional Clinical Hospital, Mogilev, Belarus, Marochkov A. V. ,   Mogilev Regional Clinical Hospital, Mogilev, Belarus
Published: July 2022

Background. One of the most dangerous complications of diabetes mellitus (DM) is damage to the lower extremities, leading to the development of diabetic foot syndrome (DFS) due to the progression of tissue metabolism disorders. For effective care of patients with DFS, it is important to identify patients at risk of malnutrition, apply various methods of diagnosing and assessing nutritional deficiencies. Evaluation of the nutritional status (NS), the degree and type of its violations is important for determining the approach to its correction. Objective. To establish the most significant prognostic criteria of the severity of DFS in patients with DM; to study changes in some indicators of NS. Material and methods. A prospective non-randomized observational study of patients with stage 3 deforming arthrosis of the knee joint, who do not have a history of DM, and those with DM complicated by DFS was conducted. To assess the NS of the patients, biochemical parameters in the blood were determined: the level of hemoglobin, total protein, albumin, total cholesterol, 25-hydroxycalciferol (25(OH)D). Results and conclusions. The NS of the patients without DM and those with DM complicated by DFS had significant differences in terms of patient weight, body mass index, blood levels of total protein, albumin, total cholesterol and 25(OH)D (p<0.01). In patients with DFS, the blood levels of total protein, albumin, total cholesterol and 25(OH) D (p<0.01) were statistically lower. As the severity of the foot soft tissue lesion increased, there was a significant high negative correlation of patients’ weight (r =-0.763), body mass index (r =-0.721), blood levels of total protein (r =-0.779), albumin (r =-0.711), total cholesterol (r =-1.089). The level of 25(OH)D content showed an insignificant average negative correlation (r =-0.386; p>0.05). The patients’ weight, body mass index, blood albumin and 25(OH) D levels had the highest AUC (0,828) and the greatest statistical diagnostic significance for assessing nutrition of patients with DFS.
PROGNOSTIC VALUE OF NATRIURETIC PEPTIDES IN RISK ASSESSMENT OF VENTRICULAR ARRHYTHMIAS IN PATIENTS WITH HEART FAILURE AND ATRIAL FIBRILLATION
Authors:   Grodno State Medical University, Grodno, Belarus, Matsiukevich M. Ch. , Snezhitskiy V. A. ,   Grodno State Medical University, Grodno, Belarus, Kapytski A. V. ,   Grodno State Medical University, Grodno, Belarus
Published: July 2022

Background. Increased levels of brain natriuretic peptide (BNP) and the N-terminal fragment of brain natriuretic peptide (NT-proBNP) in heart failure (HF) indicates atrial and ventricular myocardial remodeling. BNP and NT- proBNP have great prognostic value in patients with HF. However, atrial fibrillation (AF) can affect the interpretation of BNP and NT-proBNP. AF is one of the most common conditions in patients with HF and assessing the predictive value of BNP and NT-proBNP is extremely important in clinical practice for patients with HF and AF. Aim. To determine ventricular arrhythmias (VA) markers in patients with HF and AF. To estimate the predictive significance of BNP and NT-proBNP in the VA risk assessment in patients with HF and AF. Material and methods. Totally, 164 HF patients with left ventricular ejection fraction (LVEF <50%) were included into the study. All the patients underwent transthoracic echocardiography using standard echocardiographic positions; 24-hour ECG monitoring to assess types and nature of VA. BNP and NT-proBNP levels were determined by enzyme immunoassay (ELISA) in venous blood plasma. Results. In the group of patients with HF and AF paroxysms of non-sustained ventricular tachycardia (NSVT) were more frequently recorded compared to the patients with sinus rhythm (48 (52.2%) versus 21 (29.2%); p=0.005). Patients with HF and AF with NSVT compared with patients without NSVT have larger left atrial and left ventricular (LV) sizes and LV volumes; differences between LVEF being without statistical significance of the results. Patients with HF, AF and NSVT, compared with patients without NSVT, have significantly higher levels of BNP (298.8 [149; 500.6] pg/mL versus 152 [145.7; 335.4] pg/mL, p=0.02) and NT-proBNP (2071.5 [1385; 4652.4] pg/mL vs. 971 [778.5; 1452] pg/mL, p<0.0001). A significant positive correlation was found between the level of BNP and the amount of NSVT per day; there is a positive correlation between the level of NT-proBNP and the amount of NSVT per day. Conclusion. The incidence of NSVT among patients with HF and AF is higher compared with patients with HF and sinus rhythm. Patients with HF and AF with registered NSVT are characterized by larger LA and LV sizes and LV volumes compared to patients without NSVT. Increased concentrations of BNP and NT-proBNP have a prognostic value in risk assessment of VA in patients with HF and AF.
COELOMIC CYST OF THE PERICARDIUM. A CLINICAL CASE
Authors:   Grodno State Medical University, Grodno, Belarus, Surmach K. M. , Demidik S. М. ,   Grodno State Medical University, Grodno, Belarus, Frolov V. A. ,   City Clinical Hospital No 3, Grodno, Belarus, Bialiayeva A. L. ,   City Clinical Hospital No 3, Grodno, Belarus
Published: July 2022

Congenital abnormalities of the pericardium are a rare group of diseases. Coelomic pericardial cyst is often asymptomatic and does not give complications. Symptoms may occur if the cyst increases in size, can compress anatomical structures, or can be infected or ruptured. The clinical diagnosis of pericardial cysts is difficult to make because the patient’s symptoms are nonspecific, and have association with concomitant pathology. The diagnostic examination often begins with chest radiography or transthoracic echocardiography. Computed tomography and magnetic resonance imaging of the chest are often required to visualize the entire pericardium and characterize the pathological process with details. Treatment depends on the presence and/or severity of symptoms. Active monitoring is preferable for asymptomatic patient with a confirmed diagnosis of coelomic pericardial cyst, if this patient is not in risk group of life-threatening complications, and disturbances of the function of organs and systems. Our clinical case of an asymptomatic patient with a coelomic cyst of the pericardium is intended to draw the attention to the algorithm of examination and observation of such patients. The case is discussed with regard to personalized medicine and clinical recommendations.
Multideuteration of Nitroaromatics by Silver-Catalyzed Hydrogen-Isotope Exchange
Authors: Tang Jianbo , Kong Junhua , Xu Hui , Jiang Zhi-Jiang , She Yifan , Bai Jianfei , Tang Bencan , Chen Jia , Gao Zhanghua , Gao Kun
Published: July 2022

A silver-catalyzed deuteration of nitroaromatics has been achieved using D2O as the deuterium source. Distinct from the well-established directing group guided hydrogen-isotope exchange, the protocol showed an interesting deuteration pattern, where considerable deuterium accumulation was observed around the aromatic rings. Controlling experiments suggested that the deuteration was initiated by a silver-promoted C-H activation. Therefore a tentative two-stage deuteration mechanism involving aryl-silver species was proposed to explain the deuteration on meta- and para-positions.
Chiral Solvent Discovery: Exploring Chiral Eutectic Mixtures and Deep Eutectic Solvents
Authors: Hopkins Todd , VandenElzen Liam , Nelson Brian , Vaid Vishnu , Brickley Jayme , Ariza Paola , Whitacre Grace , Patel Inaya , Gooch Olivia , Bechman Mandy , Jordan Charlotte
Published: July 2022

Deep eutectic solvents (DES) are mixtures that have a melting point much lower than any of the components. Because the properties of a DES, such as chiral discrimination, can be controlled through choice of components, DES have potential as solvents in many chemical and industrial applications. However, the large number of potential components makes high throughput methods of DES discovery critical for their development. In this study, mixtures of small quantities of hydrogen bond acceptors (HBAs) and chiral hydrogen bond donors (HBDs) were mixed at 55 C and cooled to 20 C to screen for potential liquid formation. Variable molar ratios of 10 HBAs were mixed with 93 chiral HBDs to measure a total of 1250 mixtures, and 356 mixtures were liquid at 20 C. All of the results including mixtures that did not form liquids are provided in a publicly available database. Several of the mixtures were prepared in larger quantities to characterize their physical properties, including melting points, densities, and viscosities. The results of this study can be used to guide the discovery and development of new chiral solvents, such as DES and eutectic mixtures.
Locating guest molecules inside metal-organic framework pores with a multiscale computational approach
Authors: Ernst Michelle , Poręba Tomasz , Gnägi Lars , Gryn'ova Ganna
Published: July 2022

Molecular docking has traditionally mostly been employed in the field of protein-ligand binding. Here, we extend this method, in combination with DFT-level geometry optimizations, to locate guest molecules inside the pores of metal-organic frameworks. The position and nature of the guest molecules tune the physicochemical properties of the host-guest systems. Therefore, it is essential to be able to reliably locate them to rationally enhance the performance of the known metal-organic frameworks and facilitate new material discovery. The results obtained with this novel method are compared to experimental structures. We show that the presented method can, in general, accurately locate adsorption sites and structures of the guests. We therefore propose our approach as a computational alternative when no experimental structures of guest-loaded MOFs are available. Additional information on the adsorption strength in the studied host-guest systems emerges from the computed interaction energies. Our findings provide the basis for other computational studies on MOF-guest systems and contribute to a better understanding of the structure-interaction-property interplay associated with them.
A systematic core-shell approach for coarsening nanoparticle-membrane interactions: application to silver nanoparticles
Authors: Singhal Ankush , Sevink Agur
Published: July 2022

The continuous release of engineered nanomaterial (ENM) into the environment may bring along health concerns following human exposure. One important source of ENMs are silver nanoparticles (NPs) that are extensively used as anti-bacterial additives. The introduction of ENMs into the human body can occur via ingestion, skin uptake, or the respiratory system. Therefore, evaluating how NPs translocate over bio-membranes is essential in assessing their primary toxicity. Unfortunately, data regarding membrane-NP interaction is still scarce, as is a theoretical and in-silico insight that governs adhesion and translocation for the most relevant NPs and membranes. Coarse-grained (CG) molecular descriptions alleviate this situation but are hampered by the absence of a direct link to specific NP materials and membrane adhesion mechanisms. Here, we interrogate the relationship between the standard CG NP representation and the adhesion characteristics of a model lung membrane. We find that the standard model is inapt of describing silver (Ag) NPs of different sizes, meaning that a matching CG representation for one size is not transferable to other sizes. In addition, we identify two basic types of primary adhesion - (partial) NPs wrapping by the membrane and NP insertion into the membrane - that depend on the NP’s overall hydrophobicity and significantly differ in terms of lipid coatings. The non-transferability of the standard CG model forms an inspiration for introducing a core-shell model even for bare NPs that are uniform in composition. We show that this extension allows us to reproduce the size-dependent adhesion properties of bare Ag NPs at the atomistic scales. Next, we evaluate adhesion signatures for bare Ag NPs up to 10 nm diameter, illustrating that the previously atomically resolved lipid response to binding is correctly reproduced at the CG level. The simulation for the largest NP provides insight into the role of water in trapping NPs into defected mixed monolayer- bilayer states. This metastable situation is well beyond the previously considered elastic models and implicit-solvent molecular descriptions. We expect this development to be instrumental for simulating NP membrane adhesion towards experimental length and time scales for particular NP materials.
Identifying Limitations in Screening High-Throughput Photocatalytic Bimetallic Nanoparticles with Machine-Learned Hydrogen Adsorptions
Authors: Broderick Kirby , Lopato Eric , Wander Brook , Bernhard Stefan , Kitchin John , Ulissi Zachary
Published: July 2022

The Sabatier principle is of fundamental importance to computational catalyst discovery, saving researchers time and expense by predicting catalytic activity in silico at scale. However, as polycrystalline and nanoscale catalysts increasingly dominate industry, computational screening tools must be adapted to these uses. In this work, we demonstrate the effectiveness of computational adsorption energy screening in nanocatalysis by comparing a multisite adsorption energy prediction workflow against a large experimental dataset of hydrogen evolution activities over bimetallic nanoparticles. Comparing 16 million hydrogen adsorption energy predictions with the hydrogen evolution activity of 5,300 experiments across 84 monometallic and bimetallic systems, we discover that favorable adsorption energies are a necessary condition for experimental activity, but other factors often determine trends in practice. About half of the bimetallic search space can be excluded from experimental screens using hydrogen adsorption predictions, but these tools may become significantly more powerful when combined with other screening tools.
Synthesis and Kinetic Stabilization of a Theoretically Predicted Sn(II)-Perovskite Oxide as a Nanoshell
Authors: O'Donnell Shaun , Osborne DJ , Krishnan Gowri , Block Theresa , Koldemir Aylin , Small Thomas , Broughton Rachel , Jones Jacob , Pöttgen Rainer , Andersson Gunther , Metha Gregory , Maggard Paul
Published: July 2022

Kinetically-stabilized, i.e., metastable, semiconductor dielectrics represent a major new frontier within many key technological fields as compared to thermodynamically-stable solids that have received considerably more attention. Of longstanding interest are Sn(II) perovskites (e.g., Sn(Zr1/2Ti1/2)O3, SZT), which are theoretically predicted Pb-free analogues of (Pb(Zr1/2Ti1/2)O3, PZT), a commercial piezoelectric compound that is dominant in the electronics industry. Herein, we describe the synthesis of this metastable SZT dielectric through a low-temperature flux reaction technique. The SZT has been found, for the first time, to grow and to be stabilized as a nanoshell at the surfaces of Ba(Zr1/2Ti1/2)O3 (BZT) particles, i.e., forming as BZT-SZT core-shell particles, as a result of Sn(II) cation exchange. In situ powder X-ray diffraction (XRD) and transmission electron microscopy data show that the SZT nanoshells result from the controlled cation diffusion of Sn(II) cations into the BZT particles, with tunable thicknesses of ~25 nm to 100 nm. The SZT nanoshell is calculated to possess a metastability of about 0.5 eV atom–1 with respect to decomposition to SnO, ZrO2, and TiO2, and thus cannot currently be prepared as stand-alone particles. Rietveld refinements of XRD data are consistent with a two-phase BZT-SZT model, with each phase possessing a generally cubic perovskite-type structure and nearly identical lattice parameters. Mössbauer spectroscopic data (119Sn) are consistent with Sn(II) cations within the SZT nanoshells and an outer ~5 to 10 nm surface region comprised of oxidized Sn(IV) cations after exposure to air and water. The optical band gap of the SZT shell was found to be ~2.2 eV, which is redshifted by ~1.2 eV as compared to BZT. This closing of the band gap was probed by X-ray photoelectron spectroscopy and found to stem from a shift of the valence band edge to higher energies (~1.07 eV) as a result of the addition of the Sn 5s2 orbitals forming a new higher-energy valence band. In summary, a novel synthetic tactic is demonstrated to be effective in preparing highly metastable SZT and representing a generally useful strategy for the kinetic stabilization of other predicted, metastable dielectrics.
Evolution of Ge wetting layers growing on smooth and rough Si (001) surfaces: isolated {105} facets as a kinetic factor of stress relaxation
Authors: Arapkina Larisa V. , Chizh Kirill V. , Dubkov Vladimir P. , Storozhevykh Mikhail S. , Yuryev Vladimir A.
Published: July 2022

The results of STM and RHEED studies of a thin Ge film grown on the Si/Si(001) epitaxial layers with different surface relief are presented. Process of the partial stress relaxation was accompanied by changes in the surface structure of the Ge wetting layer. Besides the well-known sequence of surface reconstructions (2 × 1 → 2 × N → M × N patches) and hut-clusters faceted with {105} planes, the formation of isolated {105} planes, which faceted the edges of M × N patches, has been observed owing to the deposition of Ge on a rough Si/Si (001) surface. A model of the isolated {105} facet formation has been proposed based on the assumption that the mutual arrangement of the monoatomic steps on the initial Si surface promotes the wetting layer formation with the inhomogeneously distributed thickness that results in the appearance of M × N patches partially surrounded by deeper trenches than those observed in the usual Ge wetting layer grown on the smooth Si(001) surface. Isolated {105} facets are an inherent part of the Ge wetting layer structure and their formation decreases the surface energy of the Ge wetting layer.
COMPROMISOS Y ACCIONES DE GESTIÓN AMBIENTAL DE LAS INSTITUCIONES DE SALUD EN COLOMBIA
Authors: Rodríguez López Javier Isidro
Published: July 2022

Las organizaciones hospitalarias se relacionan con la atención de pacientes y condiciones críticas de salud, es poco común asociarlas con aspectos relacionados con lo ambiental, la sostenibilidad y la responsabilidad social, en el caso colombiano desde finales del siglo XX ha venido incluyendo aspectos de la gestión empresarial ambiental a sus labores estratégicas y operativas, en el último decenio el surgimiento de la Red Global de Hospitales Verdes y Saludables ha impulsado este interés de cumplir por un menor impacto ambiental desde sus acciones cotidianas. El objetivo fue identificar los compromisos ambientales de las instituciones de salud colombianas vinculadas a la Red Global de Hospitales Verdes y Saludables para el año 2021. Se desarrolló un estudio cualitativo, exploratorio, descriptivo, transversal con la valoración de 95 instituciones hospitalarias en Colombia, se realizó una entrevista indagando los compromisos y avances de su gestión ambiental teniendo como marco la agenda global de hospitales verdes. Los resultados mostraron que las instituciones comprometidas se ubican en 16 departamentos, centrados en Cundinamarca, Valle del Cauca y Nariño. Su gestión ambiental está orientada a la gestión de residuos, manejo hídrico y energético, también las acciones de liderazgo se orientan a acciones de formación, conciencia, responsabilidad social y calidad en salud; por otra parte, los productos farmacéuticos y los alimentos son los menos trabajados. Se concluye que se debe apoyar a la vinculación de instituciones hospitalarias a la red para la ampliación a otros territorios del país, conectar los aspectos de sustentabilidad como eje de relevancia para los procesos de acreditación, calidad y responsabilidad social. En cuanto a la generación de conocimiento, su reporte y la transferencia de información es un reto para seguir trabajando.
INTENCIÓN EMPRENDEDORA DE ESTUDIANTES DE UNA UNIVERSIDAD PÚBLICA EN LA REGIÓN AMAZONAS PERÚ
Authors: Sánchez Pantaleón Alex Javier , Cruz Caro Omer , Cueva Vega Edinson
Published: July 2022

La investigación tiene por objetivo identificar la intención emprendedora de estudiantes de la Universidad Nacional Toribio Rodríguez de Mendoza de Amazonas. Se realizó un estudio descriptivo, con diseño no experimental, la población está dado por todos los 4170 estudiantes de pregrado matriculados en el semestre académico 2021 – I, de la universidad en estudio, se consideró una muestra no probabilística y por conveniencia de 600 estudiantes de distintas facultades, se utilizó la técnica de la encuesta y como instrumento un cuestionario virtual para conocer la intención emprendedora en los estudiantes universitarios. Se obtuvo como resultado que el 37,5 % de estudiantes universitarios realizaría su emprendimiento antes de terminar la universidad, el 36,5 % tiempo después de terminar la universidad y en menor medida 26,0 % inmediatamente después de terminar la universidad. Se concluyó que se tiene una alta intención emprendedora por parte de los estudiantes de la Universidad Nacional Toribio Rodríguez de Mendoza de Amazonas, con un 68,2% que están totalmente interesados en crear su propia empresa, en el cual se tiene mayor incidencia en la Facultad de Ciencias Económicas y Administrativas con un 81% seguido de la Facultad de Ingeniería Zootecnista, Agronegocios y Biotecnología destacando las carreras de contabilidad e Ingeniería en Agronegocios respectivamente con mayor intención emprendedora.
EVALUACIÓN DEL RIESGO DE INUNDACIÓN EMPLEANDO UN SISTEMA DE INFORMACIÓN GEOGRÁFICA Y MODELAMIENTO HIDRÁULICO APLICADOS AL RÍO LA LECHE LAMBAYEQUE
Authors: Arriola Carrasco Guillermo Gustavo , Coronado Zuloeta Omar , Sotomayor Nunura Gioconda del Socorro , Villegas Villegas Deybi Vander , Caballero Talledo Rubén Dario , Olaya Aguilar Wilson Arturo
Published: July 2022

El riesgo ante inundaciones hoy en día es necesario estudiarlo sobre todo cuando se sabe que cada vez es más probable que se produzca una variación de las lluvias y el desborde de los ríos, que se han visto influenciados por eventos naturales como el Fenómeno El Niño y el cambio climático, el objetivo fue evaluar el riesgo de inundación empleando un sistema de información geográfica y modelamiento hidráulico aplicados al río La Leche con fines de prevención a corto plazo. Se desarrolló en el tramo de 18200 metros aguas abajo de la cuenca La Leche, que es la zona más propensa a inundaciones. La metodología fue del tipo aplicada y de diseño descriptivo. Los resultados obtenidos indican que la zona estudiada es muy susceptible a inundaciones, según el análisis de extremos de los caudales máximos y la simulación hidráulica para períodos de retorno de 200 y 500 años, con una probabilidad del 95%. Se concluye que la evaluación de riesgo por inundación es de nivel alto para una velocidad máxima de 4,91 m/s y nivel de agua máximo de 4,96 metros, por lo que se sugieren algunas intervenciones como la rectificación del cauce y obras de defensa ribereñas en ambas márgenes del río La Leche aguas abajo.
Temporal patterns in Cape fur seal (Arctocephalus pusillus pusillus) mother and pup attraction calls
Authors: Osiecka Anna N. , Gridley Tess , Fearey Jack
Published: July 2022

Vocal recognition is widespread in the animal kingdom, and a necessary tool for offspring survival in some groups. Temporal patterns of animal vocalisations can facilitate communication and convey information such as identity, emotional state, or motivation of the caller. While pinniped (i.e., walrus, eared and true seals) vocalisations are generally well studied, and captive pinnipeds show strong timing abilities, little is known about the temporal structure of their calls in the wild. Here, we followed Cape fur seals (Arctocephalus pusillus pusillus) during spontaneous search efforts at the Cape Cross Seal Reserve in Namibia. To investigate the temporal and rhythmic patterning of Cape fur seal attraction calls, we analysed call bouts of 80 mothers and 148 pups. We assessed the relative vocal efforts undertaken by mothers and pups by calculating calling rates, inter-call intervals (periods of silence between vocalisations), and the total time spent calling per bout. To explore the rhythmic structure of the calls, we visualised their temporal patterns by plotting the calling events and frequency histograms of the inter-onset-intervals between each two consecutive vocalisations in a bout. A normalized Pairwise Variability Index was calculated for each individual to investigate underlying patterns and compared between mothers and pups. Pups produced more calls per search, vocalised at higher rates, and took shorter breaks between consecutive vocalisations than females. Even though female vocalisations were much longer, there was no significant difference in the total time females and pups spent vocalising per bout. All animals vocalised at seemingly random intervals, with no distinguishable rhythmic pattern, suggesting that these do not encode identity information during mother-pup reunions. However, numerical analysis showed a potential asynchronous patterning within the age classes, possibly used in anti-masking. Our results indicate that Cape fur seal females and pups invest their energy differently during a search, and while their total calling effort is comparable, reunions seem to be driven mostly by the young.
Resourceful Thinking as a Key Competence of a Teacher in the Context of Digitalization of Educational Environment
Authors:   P.G. Demidov Yaroslavl State University, Kashapov M. M. , Surina N. V. ,   P.G. Demidov Yaroslavl State University, Kashapov A. S. ,   P.G. Demidov Yaroslavl State University
Published: July 2022

The article considers resourceful thinking as a key competence of a teacher for the first time in scientific literature. Resourceful thinking is defined as metacognitive ability to become aware and utilize as many external and internal resources for solving a particular task as possible. This competence is viewed from the standpoint of a subject-action approach. The author gives the rationale for considering resourceful thinking as a key competence of a teacher. The correlation of resourceful thinking of a teacher and certain personality traits has been revealed with the help of the author’s technique. Based on a meta-systemic approach, for the first time resourceful thinking of a teacher has been viewed as a meta-resource allowing for managing pedagogical activities using one’s individual resources to the full, as well as opportunities of digitalization of educational environment.