bluuebunny/crossref_metadata_2025 huggingface dataset:
Unrecognized states: legal and economic aspects
Authors: Goncharov V. N. , Glazkov V. A. , Bondarchuk A. V.
Published: January 2021

Introduction. The transformational processes that are taking place in the world lead to the creation of new relationships and institutions. The problem is the creation of an unrecognized or partially recognized States is happening everywhere and is still relevant for many centuries. Their emergence is caused by political, economic, ethnic, cross-cultural and other problems, ignoring which can lead to social explosions and military conflicts. Currently, no territory is immune from the possibility of external incitement of conflicts, which has become possible in the context of digitalization of society.

Materials and methods. In the course of the research, a set of approaches and methods that are used in the framework of legal science was applied – General, General scientific, special methods of cognition: dialectical, logical,formal legal. The specificity of the research subject led to the use of a comparative approach.

Results. The authors compare socio-economic indicators of the Republic of Abkhazia, the Republic of South Ossetia, the people’s Republic of Karabakh, the Pridnestrovian Moldavian Republic, the Luhansk people’s Republic and the Donetsk people’s Republic. Special attention is paid to comparing the size of territories and the population of unrecognized States before and after the conflict. Analytical information is provided on the formation of the budget of unrecognized republics and the number of people who have adopted the citizenship of the Russian Federation.

Discussion and conclusion. The authors conclude that unrecognized States have all the opportunities not only to preserve, but also to increase their economic potential.
FAKTOR-FAKTOR YANG MEMPENGARUHI LABA BERSIH PADA PERUSAHAAN INDUSTRI ROKOK YANG TERDAFTAR DI BEI
Authors: Yulistiani Shella Putri , Manda Gusganda Suria
Published: January 2021

ABSTRACT

This study uses descriptive analysis and verification with quantitative approach that is 3 tobacco company listed on the Stock Exchange. Data obtained are secondary data from the annual of financial statements consists of  income over 11 years, ie the year 2009 to 2019. Technical analysis of data used is the technique of multiple linear regression analysis. Based on the results of this study showed that the cost of production and a significant positive effect on net income, Showed the operational costs do net mean a net income. Showed the sales determined net income.

 

Keywords: Production Costs; Operating Costs; Sales; Net Income

 

ABSTRAK

Penelitian ini menggunakan metode analisis deskriptif dan verifikatif dengan pendekatan kuantitatif yaitu 3 perusahaan rokok yang terdaftar di BEI. Data yang diperoleh adalah data sekunder berupa laporan keuangan tahunan selama 11 tahun, yaitu tahun 2009-2019. Teknis analisis data yang dipergunakan adalah teknik analisis regresi linier berganda. Berdasarankan hasil penelitian ini menunjukan bahwa biaya produksi berpengaruh dan signifikan terhadap laba bersih. Biaya operasional tidak berpengaruh terhadap laba bersih. Penjualan berpengaruh terhadap Laba Bersih.

 

Kata kunci: Biaya Produksi; Biaya Operasional; Penjualan; Laba Bersih
Antibacterial Activity Of Methanol Extract Of Meranti Sarang Punai Cortex (Shorea parvifolia Dyer) Against Staphylococcus aureus And Propionibacterium acnes
Authors: Syafriana Vilya , Rachmatiah Tiah , Utama Nitya Wita
Published: January 2021

Shorea parvifolia Dyer (meranti sarang punai) is one of a woody plant in Indonesia which distributed across Sumatra and Kalimantan. Cortex of meranti sarang punai is known contains the secondary metabolite such as saponin, flavonoid, and tannin which can act as an antibacterial agent. The research was aims to know the antibacterial activity of methanol extract of meranti sarang punai against Staphylococcus aureus and Propionibacterium bacteria. Maceration was chosen as the extraction methods with methanol as a solvent. The antibacterial test was done by disc diffusion method in Nutrient Agar (NA) media with concentrations 5%, 10%, 15%, 20%, 25%, and 30%; while the Minimum Inhibitory Concentration (MIC) was done by solid dilution method with concentrations 5%, 4%, 3%, 2%, and 1%. The results showed that the methanol extract of meranti sarang punai has antibacterial activity against the S. aureus with Inhibitory Zone (IZ) at concentrations of 5%, 10%, 15%, 20%, 25%, and 30% respectively 16,68; 17,27; 18,41; 19,4; 20,57; and 21,46 mm, while against P. acnes was 12,61; 13,65; 14,57; 15,53; 16,58; and 17,46 mm. The MIC of methanol extracts of meranti sarang punai against the two bacteria was at concentration 2%.
Potensi Sediaan Kapsul Ekstrak Etanol Kulit Pisang Klutuk Sebagi Antidiabetes
Authors: Nofianti Tita
Published: January 2021

Diabetes melitus (DM) adalah suatu penyakit metabolik yang ditandai dengan tingginya kadar glukosa darah. Kulit pisang klutuk mengandung metabolit sekunder seperti flavonoid, polifenol, dan saponin yang dapat menurunkan kadar glukosa darah. Penelitian ini bertujuan untuk mengetahui aktivitas dan formula yang baik sediaan kapsul ekstrak etanol kulit pisang klutuk (Musa balbisiana Colla) sebagai antidiabetes pada mencit jantan yang diinduksi aloksan. Aloksan yang digunakan dengan dosis 170 mg/ kg BB. Mencit dibagi menjadi 5 kelompok yang terdiri dari kelompok kontrol negatif (CMC Na 0,5%), kelompok kontrol positif (metformin 1,3 mg/20 g BB mencit), kelompok F1 (3,5 mg/20 g BB mencit dengan 2 % Sodium Starch Glycolate -SSG), kelompok F2 (3,5 mg/ 20 g BB mencit dengan 4 % SSG), dan kelompok F3 (3,5 mg/ 20 g BB mencit dengan 8 % SSG). Hasil analisis menunjukkan tidak ada perbedaan bermakna antara kelompok kontrol positif dan kelompok F2. Persentase penurunan kadar glukosa darah yang diperoleh yaitu 65,05 %. Hasil evaluasi sediaan menunjukkan bahwa ketiga formula sediaan kapsul memenuhi persyaratan. Hasil penelitian ini menunjukkan bahwa sediaan kapsul dengan formula 2 mempunyai aktivitas menurunkan kadar glukosa darah yang lebih baik daripada formula 1 dan 3 pada mencit yang diinduksi aloksan.
Kilka uwag o pojęciu leksykalnego ekosystemu (na przykładzie języka polskiego)
Authors: Sławkowa Ewa
Published: January 2021

Bringing together basic assumptions of posthumanism and ecocriticism the essay critically explores the thesis of the fundamentally anthropocentric nature of language pointing at the nonanthroponormative element present in language and, most noticeably, in its vocabulary. We try to present a concept of the lexical ecosystem in which clusters of words are used with reference to people but also to plants and animals. The core of this system is constituted by words connected with life conceived of as zoe – biological duration of living organisms involving the processes of birth, maturation, aging, and dying. Clusters of words of this ecosystem address fundamental activities of living organisms such as breathing, digesting, moving, articulating sounds as well as inner and outer features of man. Hence, the essay suggests that the concept of the lexical ecosystem necessitates a new pedagogical approach towards the question of metaphor and metaphorical nature of language.
Językowo-kulturowy obraz ziemi bocheńskiej utrwalony w mikrotoponimii gminy Żegocina
Authors: Wróbel-Kącka Karolina
Published: January 2021

The subject of the article is the reconstruction of the image of the Bochnia land based on the analysis of toponyms collected in the commune of Żegocina. Toponymic linguistic material was examined in the context of cultural linguistics, which allowed it to reflect the image of the former village and its inhabitants, as well as to indicate the characteristic dialectal features present in this area.
Laparoscopic Sleeve Gastrectomy And Situs Inversus Totalis: Case Report And Literature Review
Authors:   Cartagena University, Romaña Mosquera Fredy
Published: January 2021

Situs Inversus Totalis (SIT) is a relatively uncommon condition, with anatomic anomaly in which an abdominal and/or thoracic organ is placed into a position similar to “a mirror reflection” in comparison to the normal position of the human organs seen from a sagittal plane.
The Education Of A Surgeon
Authors:   Northwestern University, Raffensperger John
Published: January 2021

In the not so distant past a surgeon was defined as a doctor who was skilled with the knife. At the time I attended medical school and trained in general surgery from 1949 to 1960, students learned general medicine as a basis for general practice or a specialty.
Total Knee Arthroplasty In Hemophilic Patients: A Review Of Literature
Authors:   Viale Regina Margherita, Bernardino Saccomanni
Published: January 2021

In severely affected haemophilic patients arthropathy is a common problem which can lead to considerable pain and functional deficit. Surgical management, including total knee arthroplasty, can be undertaken if conservative management fails.
Case Report: Robotic Assisted Deformity Correction Of Grade IV Spondylolisthesis
Authors:   Virginia Spine Institute, E Thomson Alexandra
Published: January 2021

Spondylolisthesis, the anterior translation of a vertebra on another, is a relatively common spinal pathology in adults estimated to occur in 4-8% of the population.
Congenital Morphea: Two Case Reports
Authors:   Hospital Do Espírito Santo De Évora, AB Guerra
Published: January 2021

Congenital morphea is a rare and underestimated form of localized scleroderma that presents at birth. From the five known subtypes, linear and plaque morphea are the most common and benign forms and are both described in these cases. Extracutaneous manifestations are rare.
Child Handling Cultural Practices For Neuromotor Development In Infants In A Cohort Of African Population: A Prospective Analytical Study
Authors:   University Of Lagos, Onuegbu Ngozi Florence
Published: January 2021

Despite the use of many cultural-handling practices to facilitate neuromotor development in African children, there is no documentation on their purpose and effectiveness.
Prevalence Of Obsessive Compulsive Disorder: A Survey With Southern Saudi Arabian Samples
Authors:   Armed Forces Hospital, Alsubaie Sultan Saad
Published: January 2021

We examined the prevalence of Obsessive Compulsive Disorder (OCD) among individuals in Asser province, southern Saudi Arabia. We also studied the sociodemographic profiles for these individuals.
Response Rates Of RTMS Treatment For Depression At Tranquil TMS - A UK-Based Clinic
Authors:   Tranquil TMS, Deshpande Nikhila
Published: January 2021

There is strong evidence supporting efficacy of repetitive Transcranial Magnetic Stimulation (rTMS) in the treatment of depression. There is a paucity of research in the UK in this area.
A Method upon Deep Learning for Speech Emotion Recognition
Authors: Pham Nhat Truong , Dang Duc Ngoc Minh , Nguyen Sy Dung
Published: January 2021

Feature extraction and emotional classification are significant roles in speech emotion recognition. It is hard to extract and select the optimal features, researchers can not be sure what the features should be. With deep learning approaches, features could be extracted by using hierarchical abstraction layers, but it requires high computational resources and a large number of data. In this article, we choose static, differential, and acceleration coefficients of log Mel-spectrogram as inputs for the deep learning model. To avoid performance degradation, we also add a skip connection with dilated convolution network integration. All representatives are fed into a self-attention mechanism with bidirectional recurrent neural networks to learn long term global features and exploit context for each time step. Finally, we investigate contrastive center loss with softmax loss as loss function to improve the accuracy of emotion recognition. For validating robustness and effectiveness, we tested the proposed method on the Emo-DB and ERC2019 datasets. Experimental results show that the performance of the proposed method is strongly comparable with the existing state-of-the-art methods on the Emo-DB and ERC2019 with 88% and 67%, respectively. This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution, and reproduction in any medium provided the original work is properly cited.
Successful Treatment of Multiple Post-Operative Keratoacanthomas with Topical 5-Fluorouracil
Authors: Ugwu Nelson , Kibbi Nour
Published: January 2021

Keratoacanthomas (KAs) are fast-growing tumors and can be difficult to distinguish from squamous cell carcinomas (SCCs). Most KAs are sporadic, but KAs may also arise following traumatic procedures. We report the case of a 94-year-old male who developed multiple KAs following surgical excision of an SCC on the right lower extremity. The patient declined additional procedures including biopsy, surgery, or intralesional therapy. He was started on 5% topical FU using a 2 week on, 2 week off regimen for 16 weeks with resolution of disease. No recurrence was noted at 13 months. Topical 5-FU is a conservative, non-invasive treatment for post-traumatic KAs that is particularly suitable in the elderly, in whom the risks and morbidity from surgical or other non-invasive approaches are worth considering.
Genomic Atypia to Enrich Melanoma Positivity in Biopsied Lesions: Gene Expression and Pathology Findings From a Large U.S. Registry Study
Authors: Brouha Brook , Ferris Laura , Skelsey Maral , Peck Gary , Rock Jim , Nguyen Anh , Yao Zuxu , Howell Michael , Jansen Burkhard , Cockerell Clay
Published: January 2021

Importance: Melanoma is diagnosed in approximately 200,000 people within the US each year and is responsible for more than 6,850 deaths. Currently, clinical suspicion guides biopsy decisions and melanoma is confirmed in approximately 4% of biopsied lesions. A non-invasive two-gene expression test (2-GEP) was shown to enhance the physical exam by evaluating genomic atypia to guide biopsy decisions. This study examines the corresponding histopathology of real-world 2-GEP-positive cases.
Methods: Cutaneous lesions suspicious for melanoma (n=3,418) were 2-GEP tested by 90 licensed clinicians in real-world practice. 2-GEP-positive lesions (genomically atypical as indicated by the detection of LINC and/or PRAME) were biopsied in 316 out of 324 (97.5%) cases and 313 pathology reports were available for analysis.
Results: Biopsied 2-GEP-positive lesions were separated into diagnostic subgroups based on corresponding pathology reports. The prevalence of melanoma in biopsies of 2-GEP-positive lesions was 18.7%. Gene expression of both LINC and PRAME was present in ever-increasing percentages of melanocytic lesions as pathology reports demonstrated increasing levels of atypia. Notably, 47.5% of the histopathologically-confirmed melanomas demonstrated this double positive genomic signature while 23.7% were single-positive for LINC and 28.8% were single-positive for PRAME. 
Discussion: These data show that biopsied 2-GEP-positive lesions are enriched almost five-fold for advanced histopathologic features compared to those biopsied based solely on visual assessment criteria. The close correlation between genomic atypia and atypical pathology should be considered when planning treatment of a 2-GEP-positive lesion.  Consideration of genomic atypia may be a superior approach to guide biopsy decisions and manage pigmented lesions.
Bimekizumab versus Ustekinumab Efficacy Across Subgroups of Patients with Moderate to Severe Plaque Psoriasis: Results from the Multicenter, Randomized, Double-Blinded Phase 3 BE VIVID Trial
Authors: Strober B , Krueger JG , Magnolo N , Vender R , Toth DP , Thaci D , Wang M , Cioffi C , Madden C , Warren RB
Published: January 2021

Abstract not available.
Bimekizumab Safety in Patients with Moderate to Severe Psoriasis: Analysis of Pooled Data from Phase 2 and 3 Clinical Trials
Authors: Reich K , Blauvelt A , Lebwohl M , Papp KA , Rich P , Strober B , De Cuyper D , Madden C , Peterson L , Vanvoorden V , Warren RB
Published: January 2021

Abstract not available.
Efficacy and Safety of Microencapsulated Benzoyl Peroxide 3% and Microencapsulated Tretinoin 0.1% (E-Bpo/E-Atra) in Acne Vulgaris: Results from Two Randomized Controlled Clinical Trials
Authors: Del Rosso J , Levy-Hacham O , Mizrahi O
Published: January 2021

Abstract not available.
Stabilization of Supramolecular Membrane Protein-Lipid Bilayer Assemblies Through Immobilization in a Crystalline Exoskeleton
Authors: Herbert Fabian C. , Abeyrathna Sameera , Abeyrathna Nisansala , Wijesundara Yalini , Brohlin Olivia , Carraro Francesco , Amenitsch Heinz , falcaro paolo , Luzuriaga Michael A. , Durand-Silva Alejandra , Diwakara Shashini D. , Smaldone Ronald A. , Meloni Gabriele , Gassensmith Jeremiah J.
Published: January 2021

Artificial native-like lipid bilayer systems constructed from phospholipids assembling into unilamellar liposomes allow the reconstitution of detergent-solubilized transmembrane proteins into supramolecular lipid-protein assemblies called proteoliposomes, which mimic cellular membranes. Stabilization of these complexes remains challenging because of their chemical composition, the hydrophobicity and structural instability of membrane proteins, and the lability of interactions between protein, detergent, and lipids within micelles and lipid bilayers. In this work we demonstrate that metastable lipid, protein-detergent, and protein-lipid supramolecular complexes can be successfully generated and immobilized within zeolitic-imidazole framework (ZIF) to enhance their stability against chemical and physical stressors. Upon immobilization in ZIF bio-composites, blank liposomes, and model transmembrane metal transporters in detergent micelles or embedded in proteoliposomes resist elevated temperatures, exposure to chemical denaturants, aging, and mechanical stresses. Extensive morphological and functional charac- terization of the assemblies upon exfoliation reveal that all these complexes encapsulated within the framework maintain their native morphology, structure, and activity, which is otherwise lost rapidly without immobilization.
Reaction of Bis(pinacolato)diboron with H-Si(100): The Pursuit of On-surface Hydrosilane Borylation Reactions
Authors: Frederick Esther , Kolesnichenko Igor , Campbell Quinn , Peña Luis Fabián , Benavidez Angelica , Anderson Evan , Wheeler David , Misra Shashank
Published: January 2021

On-surface solution phase chemical reactions, which are inherently amenable to scale-up, provide a pathway towards overcoming challenges present in gas phase processes for ultradoping of Si, a process that introduces unprecedented concentration of dopant. Ultradoping, which can only be achieved with a direct chemical bond between dopant and Si, fundamentally changes the electronic properties of Si, making it a promising next-generation electronic material. Traditional processes for solvent-based chemical functionalization attach species to the Si surface through carbon or oxygen linkers, which limits activated dopant density. This prevents solution phase chemistry from being useful for applications involving ultradoped Si. Recent work has focused on forming a direct on-surface Si-dopant bond to provide a scalable ultra-doping pathway. In this work, we expand upon that goal by demonstrating that well-known homogeneous chemistries can be usefully applied to surface reactions for ultradoping Si. By adapting a hydrosilane borylation reaction used to synthesize silyl boranes into a surface chemistry reaction, we successfully incorporate 1.3e14 cm-2 B using scalable on-surface solvent based chemistry. This density is high enough to produce the overlap of dopant wavefunctions required for achieving unprecedented conductivity in Si. Using computational studies, performed with the assumption that catalyst interaction was negligible, we predict the reaction straightforwardly occurs through a Si-B bond. However, with extensive experimental characterization including infrared spectroscopy, x-ray photoelectron spectroscopy, and secondary ion mass spectroscopy we elucidate cross-reactivity between the substrate, B2Pin2 and catalyst. The reaction complexity indicates that radical initiating catalysts are not benign in surface chemistry systems.
Drastic Enhancement of Carbon Dioxide Adsorption in Fluoroalkyl-Modified Poly(allylamine)
Authors: Koutsianos Athanasios , Hamdy Louise B. , Yoo Chun-Jae , Lee Jason J. , Taddei Marco , Urban-Klaehn Jagoda M. , Dryzek Jerzy , Jones Christopher W. , Barron Andrew R. , Andreoli Enrico
Published: January 2021

Polyamine-based carbon dioxide sorbents suffer from a seesaw relationship between amine content and amine efficiency. High polyamine loadings equate to increased amine contents, but often at the expense of amine efficiency. Carbon dioxide mass transport in compact polymers is severely limited, especially at ambient temperature. High polymer contents curtail diffusion pathways, hindering CO2 from reaching and reacting with the numerous amine functions. Here, we overcome this issue using poly(allylamine) (PAA) grafted with short fluoroalkyl chains and then cross-linked with C60. As experimentally evidenced by positron annihilation lifetime spectroscopy, the incorporation of fluoroalkyl chains generates free volume elements that act as additional diffusion pathways within the material. The inclusion of void volume in fluoroalkyl-functionalized PAA sorbents results in radically increased CO2 uptakes and amine efficiencies in diluted gas streams at room temperature, including simulated air. We speculate that the hydrophobic fluorinated functions interfere with the strong amine hydrogen bonding network disrupting and consequently altering the packing and conformation of the polymer chains. The evidence presented here is a blueprint for the development of more efficient amine-based CO2 sorbents
“Simple” AIEgens for Non-doped Solution-Processed OLEDs with Emission Close to Pure Red in sRGB Gamut
Authors: Zhang Tianfu , Zhou Zhicong , Zheng Zheng , Zhang Jianyu , Yu, Ying , Lam Jacky W. Y. , halpert jonathan E. , Tang Ben Zhong
Published: January 2021

Herein, two red luminogens with aggregation-induced emission (AIE) characteristics based on simple D–A structures with high performance in the film state are explored. Efficient non-doped solution-processed organic light emitting diodes (OLEDs) are fabricated and emit bright red electroluminescence at 652 nm and 711 nm, respectively. Most importantly, they exhibit CIE coordinates of (0.63, 0.36) and (0.64, 0.35), respectively, which are close to that of primary red color (0.63, 0.34) according to the digital television standard.
The Ranked-Orbital Approach to Selecting Active Spaces
Authors: King Daniel , Gagliardi Laura
Published: January 2021

The past decade has seen a great increase in the application of high-throughput computation to a variety of important problems in chemistry. However, one area which has been resistant to the high-throughput approach is multireference wave function methods, in large part due to the technicalities of setting up these calculations and in particular the not always intuitive challenge of active space selection. As we look towards a future of applying high-throughput computation to all areas of chemistry, it is important to prepare these methods for large-scale automation. Here, we propose a ranked-orbital approach to selecting active spaces with the goal of standardizing multireference methods for high-throughput computation. This method allows for the meaningful comparison of different active space selection schemes and orbital localizations, and we demonstrate the utility of this approach across 1120 multireference calculations for the excitation energies of small molecules. Additionally, we propose our own active space selection scheme that estimates the importance of an orbital for the active space through a pair-interaction framework from orbital energies and features of the Hartree-Fock exchange matrix. We call this new scheme the "Approximate Pair Coefficient" (APC) method and it performs quite well for the test systems presented
Synthesis of an Exhaustive Library of Naturally Occurring Galf-Manp and Galp-Manp Disaccharides. Towards Fingerprinting According to the Ring Size by Advanced Mass Spectrometry-Based IM-MS and IRMPD.
Authors: Favreau Bénédicte , Yeni Oznur , Ollivier Simon , Boustie Joel , Dévéhat françoise Le , Guégan Jean-Paul , Fanuel Mathieu , Rogniaux Hélène , Brédy Richard , Compagnon Isabelle , Ropartz David , Legentil Laurent , FERRIERES Vincent
Published: January 2021

Nature offers a huge diversity of glycosidic derivatives. Amongst numerous structural modulations, the nature of the ring size of hexosides may induce significant differences on both biological and physicochemical properties of the glycoconjugate of interest. On this assumption, we expect that small disaccharides bearing either a furanosyl entity or a pyranosyl residue would give a specific signature, even in the gas phase. On the basis of the scope of mass spectrometry, two analytical techniques to register those signatures were considered, i.e. the ion-mobility (IM) and the infra-red multiple photon dissociation (IRMPD), in order to build up cross-linked databases. D-Galactose occurs in natural products in both tautomeric forms and presents all possible regioisomers when linked to D-mannose. Consequently, the four reducing Galf-Manp disaccharides as well as the four Galp-Manp counterparts were firstly synthesized according to a highly convergent approach, and IM-MS and IRMPD-MS data were secondly collected. Both techniques used afforded signatures, specific to the nature of the connectivity between the two glycosyl entities.
A Transient Directing Group Strategy Enables Enantioselective Multicomponent Organofluorine Synthesis
Authors: Liu Zhonglin , Oxtoby Lucas , Liu Mingyu , Li Zi-Qi , Tran Van , Gao Yang , Engle Keary
Published: January 2021

The vicinal fluorofunctionalization of alkenes represents an expedient strategy for converting feedstock olefins into valuable fluorinated molecules and as such has garnered significant attention from the synthetic community; however, current methods remain limited in terms of scope and selectivity. Here we report the site-selective palladium-catalyzed three-component coupling of alkenylbenzaldehydes, arylboronic acids, and N-fluoro-2,4,6-trimethylpyridinium hexafluorophosphate facilitated by a transient directing group. The synthetically enabling methodology constructs vicinal stereocenters with excellent regio-, diastereo-, and enantioselectivities, forging products that map onto bioactive compounds.
Methane Adsorption on Heteroatom-Modified Maquettes of Porous Carbon Surfaces
Authors: Rowsey Rylan , Taylor Erin E , Irle Stephan , Stadie Nicholas , Szilagyi Robert
Published: January 2021

Experimental studies and theoretical models presently disagree on methane adsorption energetics on carbon materials that include crystalline graphene-like structures to amorphous materials with or without significant edge structure. However, this information is critical for the rational design and optimization of the structure and composition of adsorbents for natural gas storage. The delicate nature of the interactions inherent to methane physisorption, such as dispersion interactions, polarization of both the adsorbent and the adsorbate, interplay between H- bonding and tetrel bonding, and induced dipole/Coulomb interactions, requires computational treatment at the highest possible level of theory while remaining non-prohibitive in terms of computational cost. In this study, we employ the smallest reasonable computational model, a maquette, of porous carbon surfaces with a central atomic binding site for substitution. The most accurate predictions of the methane adsorption energetics were achieved by electron-correlated molecular orbital theory (CCSD(T)) and hybrid density functional theory (MN15) calculations, both employing a saturated all-electron basis set. The characteristic geometry of methane adsorption on a carbon surface was likened to a “lander” position over the ring centers of the adsorbent. This adsorbate/adsorbent arrangement arises due to bonding interactions of the adsorbent π-system with the proximal H–C bonds of methane, in addition to tetrel bonding between the antibonding orbital of the distal C–H bond and the central atom of the maquette (C, B, or N). The polarization of the electron density as well as structural deformations in both the adsorbate and adsorbent molecules clearly indicate a ~3 kJ mol-1 preference for methane binding on the N-substituted maquette. In this study, the B-substituted maquette showed a comparable or lower binding energy than the unsubstituted, pure C model, depending on the level of theory employed. The calculated thermodynamic results indicate an unambiguous guiding strategy toward incorporating electron- enriched substitutions (e.g., N) in carbon materials as a way to increase methane storage capacity over electron deficient (e.g., B) modifications. The thermochemical calculation methodologies were critically evaluated in order to establish a conceptual agreement between the experimental isosteric heat of adsorption and the binding enthalpies/free energies from statistical thermodynamics principles.
Water Dispersible Sulfo-Polyester Resins with Controlled Nano-Sized Particles
Authors: Sacripante Guerino , Foucher Daniel
Published: January 2021

Water dispersible polyester resins derived from dimethyl terephthalate, dimethyl 5-sulfoisophthalate sodium salt, 1,2-propane diol and diethylene glycol were prepared. ADesign of Experiment (DOE) was explored by varying the concentration of the ionic 5-sulfo-isophthalate sodium salt and diethylene glycol at various molecular weights and found tocorrelate with particle size dispersion of the sulfonated resins in water. An empirical model for the resin glass transition was also obtained through experimental design.
Calix[4]arene Sulfonate Hosts Selectively Modified on the Upper Rim: A Study of Nicotine Binding Strength and Geometry
Authors: Warmerdam Zoey , Kamba Bianca , Shaurya Alok , Sun XuXin , Maguire Mary , Hof Fraser
Published: January 2021

Preprint manuscript, including synthesis of new compounds and fluorescence/NMR-based binding data.

We present the synthesis and structure-activity relationships of sulfonatocalix[4]arene hosts bearing novel substitutions. The calix[4]arenes are modified on the upper rim at either one or two of the phenolic units, where the dual modifications are introduced selectively on neighboring or opposing phenols. The calix[4]arenes are mono- or di-functionalized with nitro or formyl groups, with the remaining upper-rim sites in all cases occupied by sulfonates. Equilibrium association constants were determined between each host and the guests nicotine, nornicotine, and cotinine. Indicator displacement-based binding studies show that nicotine binds most strongly to the different members of the library followed by nornicotine, whereas cotinine displays weak to no binding. NMR titrations were carried out with nicotine and show different host-guest interaction geometries for the formyl-calix[4]arenes versus the nitro-calix[4]arenes.
Como Elaborar um Resumo Estruturado Como Instrumento na Disseminação Científica: Um Breve Roteiro
Authors: Silva Altieres Oliveira , Séllos-Knoerr Viviane Coêlho de , Janes Diego dos Santos , Martins Jose Alberto Monteiro
Published: January 2021

Contextualização: Resumos estruturados (com subtítulos como este) estão em fase de adoção por periódicos científicos (estrados B1 e B2) em Ciências Sociais Aplicadas – Administração.Objetivo: O objetivo deste artigo é esclarecer ao leitor que os resumos estruturados tornam-se uma  tendência em revistas científicas de Ciências Sociais Aplicadas – Administração.Método: O presente estudo utiliza o método empírico e dedutivo, por intermédio de uma abordagem quantitativa e qualitativa; quanto ao procedimento, é uma pesquisa bibliográfica, mediante a revisão  de estudos  e artigos científicos realizados sobre o tema  e websites de periódicos científicos na base SPELL ANPAD, visando esclarecer a relevância do resumo estruturado na elaboração de artigos científicos, dissertações e teses.Resultados: Dos 120 periódicos científicos sobre o tema de  administração pesquisados na base Spell, observa-se que apenas 17%  dos periódicos adotam o resumo estruturado. A amostra analisada permite evidenciar que o resumo estruturado é mais utilizado por periódicos situados nos estratos B1 e B2 no ranking Spell (ANPAD).Conclusões: Recomenda-se que os editores/autores de revistas de ciências sociais considerem a adoção de resumos estruturados. Acrescenta-se, também, que os resumos estruturados elaborados para periódicos de Ciências Sociais Aplicadas são mais informativos, mais fáceis de ler e de pesquisar ao compará-los com  os resumos tradicionais.Palavras-chave: Publicação científica; Periódicos científicos; Resumo estruturado; Escrita científica.
Batik Pasiran: Wujud Kearifan Lokal Batik Kampung Pasir Garut
Authors: Kartika Nyai , Dienaputra Reiza D. , Machdalena Susi , Nugraha Awaludin
Published: January 2021

Batik Pasiran merupakan wujud seni batik yang dihasilkan oleh masyarakat Kampung Pasir,Desa Cintakarya, Kecamatan Samarang, Kabupaten Garut. Batik Pasiran tergolong batik yangbaru berkembang dan diperkenalkan oleh masyarakat Kampung Pasir. Batik tersebut memilikikeunikan dan nilai-nilai leluhur Kampung Adat Pasir, bentuk kearifan lokal masyarakatnya.Penelitian ini menggunakan pendekatan deskriptif dengan analisis budaya yang diharapkanmampu mengungkap dan menjabarkan bagaimana bentuk kearifan lokal yang dikiaskandalam Batik Pasiran. Metode yang digunakan dalam penelitian ini adalah metode penelitiankualitatif yang akan membantu mengabstraksikan pertalian antara bentuk seni dalam hal inibatik dengan nilai-nilai kearifan lokal yang hidup di dalam budaya masyarakat KampungPasir. Hasil penelitian menjelaskan bahwa corak motif Pasiran menggambarkan kehidupanmasyarakat yang menyatu dengan alam. Dalam hal ini batik, bukan hanya sekedar hasil budaya,lebih jauh lagi makna dan nilai-nilai yang terkandung di dalamnya merupakan ungkapan daripengalaman empiris dan keseharian masyarakat yang membentuk satu kesatuan budaya.Kata Kunci: Batik, Pasiran, Kearifan Lokal
The State of Interbank Competition in the Russian Banking Market
Authors: Donetskova O. Yu.
Published: January 2021

In the conditions of economic turbulence, it is important to develop new approaches to banking business management. The purpose of the study is to identify trends in Bank management in the context of interbank competition. The stated goal of the paper requires solving specific problems that characterize the logic of the research: to clarify the theoretical aspects of Bank management in the context of interbank competition; to review the current state of banks and identify areas of their business management; to recommend measures aimed at the sustainable position of banks. There have been used General scientific methods of analyzing statistical data and analytical reviews of the Bank of Russia. The works of foreign and domestic economists on the issues of bank management and the state of interbank competition serve as a theoretical and methodological base. The author identified the trend of strong concentration of assets and liabilities of mainly state-owned banks located in the Central Federal district of the country; identified the problem of oligopoly and Sberbank’s dominance in all segments of the banking market. The totality of the obtained results allowed the author to conclude that interbank competition is becoming more intense. Based on systematic and integrated approaches, there have been suggested measures aimed at ensuring transparency of the banking business, equal position of participants in the market and their stability. This determines the scientific and practical significance of the research. The results of the study can be used by the mega-regulator and Bank managers to progress a business development strategy, as well as by economists for further research.
O contexto digital e os estilos de aprendizagem em Cálculo Diferencial e Integral
Authors: Bicalho Daniela Cotta , Reis Frederico da Silva
Published: January 2021

A pesquisa delineada neste artigo buscou compreender como as tecnologias, inseridas em um contexto digital, podem auxiliar no desenvolvimento de estilos de aprendizagem de alunos em Cálculo Diferencial e Integral I. Os dados analisados foram obtidos por meio de entrevistas clínicas, questionários e observação de aulas de Cálculo Diferencial e Integral I em uma universidade federal do interior de Minas Gerais. Como resultados, destaca-se que, ao desenvolver cada um seu próprio estilo de aprendizagem, os estudantes recebem estímulos / interações com as tecnologias disponibilizadas no contexto digital com finalidades pessoais, também com as tecnologias inseridas no contexto acadêmico, propostas pela instituição de ensino, pelos professores ou pelos monitores e, ainda, com as tecnologias mobilizadas no contexto da aprendizagem que ocorrem fora da sala de aula, por iniciativa dos estudantes.
К вопросу о точности определения параметров элементарной ячейки монокристаллов на современных лабораторных дифрактометрах
Authors:   Институт неорганической химии им. А.В. Николаева СО РАН, Новосибирск, Россия, Серебренникова П.C. , Комаров В.Ю. , Сухих А.С. , Громилов С.А. ,   Новосибирский государственный университет, Россия
Published: January 2021

Предложена методика уточнения параметров элементарной ячейки (ПЭЯ) на монокристальном дифрактометре, оснащенном плоским двухкоординатным детектором. Методика основана на выделении Kα1-составляющих рентгеновского излучения при обработке дифракционных рефлексов. Возможности методики продемонстрированы на монокристаллах [NiEn3]МоO4. В двух независимых экспериментах разница 2θэксп и 2θвыч не превышала 0.02°, а воспроизводимость значений параметров элементарной ячейки не хуже 0.008 Å.
Ориентация молекул воды вблизи глобулярного белка
Authors:   Институт химической кинетики и горения им. В.В. Воеводского СО РАН, Новосибирск, Россия, Волошин В.П. , Медведев Н.Н. ,   Новосибирский государственный университет, Россия
Published: January 2021

Изучена ориентация молекул воды в окружении глобулярного белка SNase. Показано, что среди молекул, находящихся в прямом контакте с белком, можно выделить два типа характерных ориентаций. Примерно 44 % из них направлены вектором ОН к ближайшему атому белка и образуют донорную водородную связь, а 20 % повернуты своим кислородом к ближайшему атому, а свои протоны направляют преимущественно от белка. Эти молекулы за счет формирования сетки водородных связей с другими молекулами воды инициируют ориентационные корреляции в окружении белка в пределах 0.45 нм. Более далекие молекулы воды располагаются относительно белка случайно. Для описания ориентации используется угол между вектором N, направленным от молекулы воды на ближайший атом белка, и характерным вектором молекулы воды, в качестве которого использованы направления OH, OL, а также дипольного момента D. Более детальную информацию об ориентациях дает двумерная диаграмма распределения P(cos(θ), φ) для направления вектора N в сферической системе координат, связанной с молекулой воды. Она дает однозначное описание ориентаций молекул воды и позволяет количественно рассчитать долю молекул с выделенной ориентацией.
Первый пример диспрозий-циркониевого халькогенидного комплекса
Authors:   Институт неорганической химии им. А.В. Николаева СО РАН, Новосибирск, Россия, Конохова А.Ю. , Афонин М.Ю. , Сухих Т.С. , Конченко С.Н. ,   Новосибирский государственный университет, Россия
Published: January 2021

Синтетический подход, основанный на кислотно-основном взаимодействии, применен для синтеза халькогенидных гетеро-4f/4d-металлических соединений. Взаимодействием «кислотного» гидросульфидного комплекса циркония [Cp2'Zr(SH)2] (Cp' = η5-t-BuC5H4) с «основным» [Cp2*Dy(allyl)] получен гетерометаллический [Cp2'Zr(μ-S)(μ3-S)DyCp2*]2 комплекс — первый пример диспрозий-циркониевых халькогенидных координационных кластеров (1). Строение комплекса установлено методом рентгеноструктурного анализа монокристаллов (РСА), структурно охарактеризованы также новые кристаллические модификации известного сульфидного комплекса циркония [Cp2'Zr(μ-S)]2, являющегося продуктом разложения [Cp2'Zr(SH)2] в растворе.
Комплексная соль [Pd(NH3)4][Pd(NH3)3NO2][RhOx3]·H2O — перспективный предшественник наносплавов Pd—Rh. Кристаллическая структура Na3[RhOx3]·4H2O
Authors:   Институт неорганической химии им. А.В. Николаева СО РАН, Новосибирск, Россия, Гладышева М.В. , Плюснин П.Е. , Воробьева С.Н. , Комаров В.Ю. , Ткачев С.В. , Шубин Ю.В. , Коренев С.В. ,   Новосибирский государственный университет, Россия
Published: January 2021

Синтезированы новые комплексные соли [Pd(NH3)4][Pd(NH3)3NO2][RhOx3]·H2O и Na3[RhOx3]·H2O. Методом РСА определены кристаллические структуры полученных соединений. Комплексная соль [Pd(NH3)4][Pd(NH3)3NO2][RhOx3]·H2O изучена методами РФА, ИК спектроскопии и элементного анализа. Проведено исследование состояния родия(III) в оксалатных растворах методом ЯМР. Исследование термического поведения [Pd(NH3)4][Pd(NH3)3NO2][RhOx3]·H2O в различных газовых атмосферах показало, что конечными продуктами термолиза в восстановительной и инертной атмосфере являются ГЦК твердые растворы Pd1–xRhx.
Размер наночастиц металла как решающий фактор формирования композита никель—графен: молекулярная динамика
Authors:   Уфимский государственный нефтяной технический университет, Россия, Сафина Л.Р. , Мурзаев Р.Т. ,   Институт проблем сверхпластичности металлов РАН, Уфа, Россия
Published: January 2021

Представлены результаты моделирования методом молекулярной динамики влияния размера наночастиц никеля на процесс формирования композита никель—графен. Показано, что лучшее перемешивание единичных структурных элементов в общей структуре осуществляется при повышенных температурах: они вызывают флуктуации, в результате которых появляются новые химические связи между чешуйками графена. Однако одним из важнейших структурных факторов, влияющих на формирование композитной структуры, становится именно размер частиц: более крупные наночастицы даже при высоких температурах сохраняют сферическую форму и препятствуют формированию единой композитной структуры. Полученные результаты способствуют лучшему понимаю процессов формирования композитов на основе скомканного графена и наночастиц металла.
Исследование наноструктурированных и аморфных объемных сплавов (Со—Р)100–хСuх магнитоструктурными методами
Authors:   Красноярский институт железнодорожного транспорта – филиал Иркутского государственного университета путей сообщения, Красноярск, Россия, Кузовникова Л.А. , Денисова Е.А. , Немцев И.В. , Исхаков Р.С. , Комогорцев С.В. , Кузовников А.А. , Мальцев В.К. , Шепета Н.А. ,   Институт физики им. Л.В. Киренского ФИЦ КНЦ СО РАН, Красноярск, Россия,   Сибирский федеральный университет, Красноярск, Россия,   Федеральный исследовательский центр "Красноярский научный центр СО РАН", Россия
Published: January 2021

Проведены магнитоструктурные исследования объемных наноструктурированных композиционных материалов Co—P/Cu, изготовленных методом динамического компактирования (ДК) и одноосевого холодного прессования (ХП). Исходные частицы с аморфной и кристаллической структурой синтезированы методом химического осаждения. Изучены магнитные характеристики композитов (намагниченность насыщения, константа Блоха, поле локальной анизотропии, ширина линии ферромагнитного резонанса, коэрцитивная сила). Методом магнитофазового анализа по величинам поля анизотропии и константы Блоха определен фазовый состав исходных композиционных частиц и компактов, изготовленных двумя методами (ДК и ХП). Показано, что использование композиционных частиц при динамическом компактировании позволяет получать однородные наноструктурированные массивные материалы с сохранением магнитных характеристик исходных порошков.
Impact of mass testing during an epidemic rebound of SARS-CoV-2: a modelling study using the example of France
Authors: Bosetti Paolo , Kiem Cécile Tran , Yazdanpanah Yazdan , Fontanet Arnaud , Lina Bruno , Colizza Vittoria , Cauchemez Simon
Published: January 2021

We used a mathematical model to evaluate the impact of mass testing in the control of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). Under optimistic assumptions, one round of mass testing may reduce daily infections by up to 20–30%. Consequently, very frequent testing would be required to control a quickly growing epidemic if other control measures were to be relaxed. Mass testing is most relevant when epidemic growth remains limited through a combination of interventions.
Minimal transmission of SARS-CoV-2 from paediatric COVID-19 cases in primary schools, Norway, August to November 2020
Authors: Brandal Lin T , Ofitserova Trine S , Meijerink Hinta , Rykkvin Rikard , Lund Hilde M , Hungnes Olav , Greve-Isdahl Margrethe , Bragstad Karoline , Nygård Karin , Winje Brita A
Published: January 2021

An intense debate on school closures to control the COVID-19 pandemic is ongoing in Europe. We prospectively examined transmission of SARS-CoV-2 from confirmed paediatric cases in Norwegian primary schools between August and November 2020. All in-school contacts were systematically tested twice during their quarantine period. With preventive measures implemented in schools, we found minimal child-to-child (0.9%, 2/234) and child-to-adult (1.7%, 1/58) transmission, supporting that under 14 year olds are not the drivers of SARS-CoV-2 transmission.
Co-Teaching Relationships among Librarians and Other Information Professionals
Authors: Medaille Ann , Shannon Amy
Published: January 2021

This article uses the co-teaching experiences of workshop instructors at the University of Nevada, Reno Libraries as a basis for an in-depth exploration of the factors that lead to successful co-teaching arrangements among librarians and other information professionals. The experiences of these instructors demonstrate that co-teaching can provide numerous benefits: It can enhance the learning experience for students, it can provide a method for refining teaching skills, it can promote successful collaborations across departments, and it can bring innovative ideas into the classroom. Drawing on collaboration research from the Wilder Foundation, this study found that successful co-teaching relationships are characterized by factors related to environment, partnerships, process and structure, communication, purpose, resources, and external/long-term considerations. Within these seven areas, guidelines for successful coteaching relationships have been formulated for use by librarians and other information professionals.
Uplift modeling VS conventional predictive model: A reliable machine learning model to solve employee turnover
Authors: Wijaya Davin , DS Jumri Habbeyb , Barus Samuelta , Pasaribu Beriman , Sirbu Loredana Ioana , Dharma Abdi
Published: January 2021

Employee turnover is the loss of talent in the workforce that can be costly for a company. Uplift modeling is one of the prescriptive methods in machine learning models that not only predict an outcome but also prescribe a solution. Recent studies are focusing on the conventional predictive models to predict employee turnover rather than uplift modeling. In this research, we analyze whether the uplifting model has better performance than the conventional predictive model in solving employee turnover. Performance comparison between the two methods was carried out by experimentation using two synthetic datasets and one real dataset. The results show that despite the conventional predictive model yields an average prediction accuracy of 84%; it only yields a success rate of 50% to target the right employee with a retention program on the three datasets. By contrast, the uplift model only yields an average accuracy of 67% but yields a consistent success rate of 100% in targeting the right employee with a retention program.