bluuebunny/crossref_metadata_2025_split huggingface dataset:
Nucleophilicity of cyclic conjugated silylenes using DFT method
Authors: Ayoubi‐Chianeh Mojgan , Kassaee Mohamad Z. , Ashenagar Samaneh , Cummings Peter T. 
Published: April 2019

AbstractAssuming aromaticity (cyclic continuous conjugation, planarity, and obeying the Hückel 4n + 2 rule), nucleophilic (N), and electrophilic (ω) characters are anticipated to alternate for σ2 and π2 singlet 3‐, 5‐, 7, and 9‐membered silylenes, 1sσ2 (N?), 2sπ2 (ω?), 3sσ2 (N?), and 4sπ2 (ω?), respectively. Our calculations show silacyclopropenylidene (1sσ2) and silacyclopenta‐2,4‐dienylidene (2sπ2) as N and ω, respectively, for exhibiting all the above criteria, at B3LYP/6‐311++G**, B3LYP/6‐311++G(2df,2p), and M06/6‐311++G** levels of theory. Silacyclohepta‐2,4,6‐trienylidene (3sσ2) meets our prediction of being N, despite deviating from planarity. Contrary to our expectation, silacyclonona‐2,4,6,8‐tetraenylidene (4sπ2) not only does not turn out to be ω but also because of its intrinsic angle strain and boat‐like structure, turns out as the most N among singlet silylenes. In all cases, singlet silylenes appear as ground states, exhibiting more stability than their corresponding triplet states. In contrast to our previous report on the 3‐, 5‐, 7‐, and 9‐membered carbenes (Kassaee, et al, Tetrahedron, 1985), all the above singlet and triplet silylenes appear as minima on their energy surfaces. Besides, no allenic isomer is found as a minimum in the silylene series, and finally, 2sπ2 appears planar while its carbenic analog is nonplanar. Nucleophilicity for singlets increases as a function of the ring size 4s > 3s > 2s > 1s, and it decreases as the aromaticity increases. Our triplet silylenes show higher N than their corresponding singlet structures.
Lipase Immobilized Metal‐Organic Frameworks as Remarkably Biocatalyst for Ester Hydrolysis: A One Step Approach for Lipase Immobilization
Authors: Samui Arpita , Chowdhuri Angshuman Ray , Sahu Sumanta Kumar 
Published: April 2019

AbstractRecently, development of smart materials for immobilization of enzyme draws a significant attention in frontier research due to their applications in a wide range of catalytic reactions in several industries. Although numerous supports have already been developed in the past years for enzyme immobilization, challenges still exist to design a material with superior enticing properties like green synthesis approach, high enzyme loading and efficient immobilization process. Here, we have reported an efficient method to immobilize Candida rugosa lipase (CRL) in Zn‐(NH2‐BDC) metal‐organic frameworks (MOFs) via physical adsorption. The main objective of this work is to develop a material for enzyme immobilization that can immobilize enzyme during the synthesis of support. Here, a single step procedure offers both the synthesis of support and enzyme immobilization process. After successful immobilization, it is observed from the systematic characterization that the CRL is loaded 280 mg/g of Zn‐(NH2‐BDC) MOFs during the crystal growth. The immobilized CRL demonstrates promising stability and catalytic activity in the ester hydrolysis. Most importantly, the immobilized CRL retains 79% of its initial activities after 10 times reuse. Our study highlights to develop an elegant material for effective enzyme immobilization.
Boron Nitride based Ternary Nanocomposites with Different Carbonaceous Materials Decorated by Polyaniline for Supercapacitor Application
Authors: Maity Chandan Kumar , Hatui Goutam , Sahoo Sumanta , Saren Pupulata , Nayak Ganesh Chandra 
Published: April 2019

AbstractIn this article, we have emphasized on the utilization of hexagonal BN (a 2D material) for supercapacitor application in combination with various carbonaceous materials (GO, RGO, CNT) and polyaniline (PANI). The formation of composite as well as interaction between the individual components in the ternary composites was confirmed by UV, FTIR, and XRD analysis. The morphological analysis established the uniform deposition of polyaniline nanofibers on the exfoliated BN and carbonaceous materials. Among the ternary nanohybrids, BN/CNT/PANI composite exhibited highest specific capacitance of 387.5 Fg−1at a current density of 1 Ag−1in 1 M KCl. The ternary composite also achieved a high energy density of 34.44 Whkg−1at a power density of 400 Wkg−1. Further, the ternary nanohybrid BN/CNT/PANI retained 87% of specific capacitance after 6000 charging disharging cycles. All these superior electrochemical properties demonstrates potentiality of BN/CNT/PANI for supercapacitors.
Design of Robust Organosuperbases and Anion Receptors by Combination of Azine Heterocycle Skeleton and Phosphazene Motif
Authors: Khademloo Elham , Saeidian Hamid , Mirjafary Zohreh , Aliabad Javad Mokhtari 
Published: April 2019

AbstractIn the present study, the proton affinity (PA) and the gas phase basicity have been calculated for a series of azine heterocycles bearing phosphazene motif by using the B3LYP/6‐31+G(d,p) method. The results indicate that the designed compounds meet remarkable superbasicity. The calculated PAs are in the range of 931–1117 kJ mol−1. The studied molecules have flexible structure and can be used as anion receptors through strong hydrogen bonding. The interaction of superbases 7–9 with F−, Cl− and NO3− anions has been also investigated using the Density Functional Theory. The anion receptors show a high affinity toward F− anion, therefore, they may be considered as selective F− receptors.
Preparation of Hierarchical Porous S‐1/silica Monoliths by Steaming Crystallization
Authors: Cheng Wenjing , Tao Kai , Wu Yanfei , Li Xiaoying , Liang Yunxiao 
Published: April 2019

AbstractSilicalite‐1 (S‐1) nanoparticles (80∼200 nm) were controlled to grow on the silica nano‐film of macroporous silica monoliths (MSMs) in situ by crystallization of the silica xerogel under steaming. The MSMs not only improve the dispersibility and adsorption capacity of S‐1 nanoparticles due to their continuous pass‐through macropores, but also overcome the problem of separation difficulty by their monolithic character. The S‐1 nanoparticles strengthen the mechanical strength of MSMs by local thickening of the silica nano‐film. The mesopores etched on the silica nano‐film during crystallization under steaming give convenience for molecule transmission.
Synthesis, Characterization and Optical Properties of Two Metal Borates Containing Two Types of Oxoboron Clusters
Authors: Yang Hui , Hu Chunli , Lv Bei , Tang Ruling , Xu Cuixia 
Published: April 2019

AbstractTwo metal borates, namely, Pb6O(B6O14) (1) and β‐BaAl[B4O8(OH)](H2O) (2) have been obtained and characterized. Compound 1 crystallizes into triclinic crystal system with a centrosymmetric space group of P‐1 and its structure features [Pb6O13]14− layers which are further connected by [B6O14]10− chains into a 3D framework. Compound 2 is isostructural with β‐BaGa[B4O8(OH)](H2O) and adopts a centrosymmetric space group P‐1. Its structure consists of a AlB4O10(OH) bilayers with intersecting channel systems comprised of two interconnected porous sheets. Each compound was also characterized by optical and thermogravimetric analysis and band structure calculations have been carried out based on density functional theory methods.
Temperature‐Dependent Study of Catalytic Ag Nanoparticles Entrapped Resin Nanocomposite towards Reduction of 4‐Nitrophenol
Authors: Kanti Das Tushar , Ganguly Sayan , Remanan Sanjay , Das Narayan Ch. 
Published: April 2019

AbstractNoble metal assisted catalytic activity is a renounced adopted strategy since long times. Herein, we report an arresting of silver nanoparticles onto solid surface resin matrix in order to perform catalytic activity taking by 4‐nitrophenol as a model feed agent. The surface decoration has been evidenced by electron microscopy techniques. The superiority of this resin‐confined Ag nanoparticle based catalyst lies in their fast reduction and wide range of working temperature. The thermodynamic parameters related to activation energy, temperature dependency, and reusability can make this a suitable ‘easy to install’ all‐solid‐state fabricated catalytic membrane device.
Catalyst free Synthesis of Highly Functionalized Indolizines from In Situ Generated Pyridinium Ylides via One‐Pot Multicomponent Reaction
Authors: Ramesh Vediyappan , Devi Natarajan Savitha , Velusamy Marappan , Shanmugam Sivakumar 
Published: April 2019

AbstractA base‐promoted one‐pot three‐component domino reaction of in situ generated pyridinium ylides with α‐oxoketene dithioacetals (AKDTAs) lead to synthesis of indolizine derivatives. In this one‐pot transformation, three new bonds and one new ring was efficiently formed in one sequence. The current method provides a simple, convenient route for the synthesis of biologically important indolizine derivatives without using any catalyst in good yield. The synthesized compound 4 g was confirmed by single crystal X‐ray analysis.
Nonlinear seismic assessment of irregular coupled wall systems using high‐performance fiber‐reinforced cement composites
Authors: Son Minyoung , Kim Seung‐pil , Shin Myoungsu , Kang Thomas H.‐K. 
Published: April 2019

SummaryReinforced concrete coupled wall systems that consist of multiple shear walls linked by coupling beams are known to be very effective for resisting lateral loads in high‐rise buildings. As to improving the seismic capacity of coupled wall systems, high‐performance fiber‐reinforced cement composites (HPFRCCs) have been recently considered. These materials are characterized by tension strain‐hardening behavior that can improve the ductility and toughness of structures subjected to reversed cyclic loading. In this study, nonlinear finite element analyses were conducted to investigate the effects of HPFRCCs on the seismic behavior of irregular tall buildings with coupled wall systems. The coupling beams were modeled using moment hinge elements, and the structural walls were modeled using fiber elements. Comparisons between analysis and test results of coupled wall specimens with and without HPFRCCs indicate that the modeling methods used well predict both the overall and local behaviors. The responses of a 56‐story irregular tall building with coupled walls are discussed with focus on the effects of HPFRCCs. It is noted that the use of HPFRCCs in coupling beams and structural walls of one‐fourth height from the base greatly affects the failure mode. For irregular tall buildings, nonlinear response history analysis indicates higher mode effects are critical.
Maternal and neonatal complications of fetal macrosomia: cohort study
Authors: Beta J. , Khan N. , Fiolna M. , Khalil A. , Ramadan G. , Akolekar R. 
Published: April 2019

ABSTRACTObjectiveTo estimate the risks of maternal and neonatal complications in pregnancies with macrosomia.MethodsThis was a retrospective cohort study conducted at a large maternity unit in the UK between January 2009 and December 2016. The incidence of maternal and neonatal complications in pregnancies with macrosomia, defined as birth weight (BW) > 4000 g, and in those with severe macrosomia, defined as BW > 4500 g, was compared with that in pregnancies with normal BW (2500–4000 g). Regression analysis was performed to determine odds ratios (ORs) for complications in macrosomic pregnancies compared to those with normal BW.ResultsThe study population of 35 548 pregnancies included 4522 (12.7%) with macrosomia, of which 643 (1.8%) had severe macrosomia, and 31 026 (87.3%) with normal BW. In the macrosomia group, the adjusted OR was 3.1 (95% CI, 2.6–3.6) for Cesarean section for failure to progress, 2.4 (95% CI, 2.0–3.0) for severe postpartum hemorrhage, 2.3 (95% CI, 1.9–2.8) for obstetric anal sphincter injury, 10.4 (95% CI, 8.6–12.6) for shoulder dystocia, 28.5 (95% CI, 8.9–90.7) for obstetric brachial plexus injury, 32.3 (95% CI, 3.8–278.2) for birth fractures and 4.4 (95% CI, 2.2–8.8) for hypoxic‐ischemic encephalopathy. The respective values in pregnancies with severe macrosomia were 4.3 (95% CI, 3.1–6.1), 2.9 (95% CI, 1.9–4.4), 3.1 (95% CI, 1.9–5.1), 28.7 (95% CI, 20.8–39.8), 73.9 (95% CI, 15.1–363.2), 87.2 (95% CI, 7.7–985.0) and 13.8 (95% CI, 5.2–36.8).ConclusionMacrosomia is associated with serious adverse perinatal outcomes. This study provides accurate estimates of risks to aid in pregnancy management. Copyright © 2019 ISUOG. Published by John Wiley & Sons Ltd.
White matter disconnection is related to age-related phonological deficits
Authors: Troutman Sara B. W. , Diaz Michele T. 
Published: April 2019

Abstract
Older adults have more language production difficulties than younger adults but display largely comparable language comprehension abilities. The Transmission Deficit Hypothesis suggests that production difficulties stem from an age-related increase in phonological signal transmission failures, while the semantic system, being more redundant than the phonological system, allows comprehension to be relatively preserved despite signal failures. Though the neural instantiation of the Transmission Deficit Hypothesis remains an open question, white matter represents one important factor to investigate. Metrics indicative of white matter connectivity across the brain, namely, Radial Diffusivity (RD) and Fractional Anisotropy (FA) have also been linked to age-related cognitive differences including naming difficulties. Using a Picture-Word Interference (PWI) task with 18 younger and 19 older healthy adults, we found that, across ages, better picture naming in the presence of phonological distractors was associated with lower RD across dorsal (r = −.35, p = .03), ventral (r = −.34, p = .04), and fronto-striatal (r = −.33, p = .04) tracts, and higher FA along dorsal tracts (r = .43, p = .008). The pattern of lower RD and higher FA, which is thought to reflect better white matter structure, points to the dorsal stream tracts as critical for performance on the PWI task. Moreover, the effects of RD and FA on performance were attenuated by the effect of age, reflecting the shared variance between age and white matter as it relates to language production ability.
Autocracies and the Control of Societal Organizations
Authors: Reny Marie-Eve 
Published: April 2019

AbstractAuthoritarian regimes seek to prevent formal and informal organizations in society from engaging in mobilized dissent. What strategies do they use to do so, and what explains their choices? I posit that state actors in autocracies use four mechanisms to control societal organizations: repression, coercion, cooptation and containment. How they control these organizations depends on whether they think they might undermine political stability. Two factors inform that assessment. First is whether state actors think societal organizations’ interests are reconcilable with regime resilience. Second is whether groups are in national or international networks that are either cohesive or incohesive. While the irreconcilability of interests influences state actors’ perceptions of groups as subversive, network cohesion shapes organizations’ capacity for large-scale mobilization.
Revitalising leadership for a humane world
Authors: Proctor-Thomson Sarah B. 
Published: April 2019

AbstractAfter two decades of expanding leadership scholarship and mounting critique regarding dominant leadership theory, there is a need for a radical revitalisation of leadership thinking. A dialogic, humanist and contextualised orientation to leadership, long progressed by Ken Parry charts a direction for this work. But a truly revitalised leadership field must also involve a multi-dimensional and explicitly values-driven approach that places the roles, rights and responsibilities of leaders and followers – and the relationships between them – at its heart.
Corpus-based dictionaries for sentiment analysis of specialized vocabularies
Authors: Rice Douglas R. , Zorn Christopher 
Published: April 2019

AbstractContemporary dictionary-based approaches to sentiment analysis exhibit serious validity problems when applied to specialized vocabularies, but human-coded dictionaries for such applications are often labor-intensive and inefficient to develop. We demonstrate the validity of “minimally-supervised” approaches for the creation of a sentiment dictionary from a corpus of text drawn from a specialized vocabulary. We demonstrate the validity of this approach in estimating sentiment from texts in a large-scale benchmarking dataset recently introduced in computational linguistics, and demonstrate the improvements in accuracy of our approach over well-known standard (nonspecialized) sentiment dictionaries. Finally, we show the usefulness of our approach in an application to the specialized language used in US federal appellate court decisions.
Fichte’s Certainty in the Spirit by the Letter
Authors: Barba-Kay Antón 
Published: April 2019

ABSTRACTFichte’s Jena writings sought to combine the apparently conflicting requirements of settling philosophy on scientific grounds and of respecting its character as a self-determined vocation. In reconciling these tasks, he understood himself to be faced at once with the meta-philosophical one of motivating the questions he addressed, the pedagogical one of adequately communicating his position, and the polemical one of accounting for the incomprehension of his adversaries. I show how these layers constitute Fichte’s response to the larger problem of specifying the relation between the rote ‘letter’ of a philosophical doctrine and the intersubjective ‘spirit’ of its communicability.
Defining the Value of Health Technologies in Latin America: Developments in Value Frameworks to Inform the Allocation of Healthcare Resources
Authors: Pichon-Riviere Andres , Garcia-Marti Sebastian , Oortwijn Wija , Augustovski Federico , Sampietro-Colom Laura 
Published: April 2019

AbstractObjectivesThe recent development of value frameworks to inform healthcare resource allocation responds to a demand to make the decision-making process more inclusive and explicit. The objectives of the 2018 Latin American (LAtam) Health Technology Assessment International (HTAi) Policy Forum were to explore the current international experiences and to discuss the potential application of value frameworks in Latin America.MethodsA background paper, presentations, and group discussions of Policy Forum members (43 participants, 12 LAtam countries represented) at the 2018 HTAi Policy Forum meeting informed this paper.ResultsParticipants agreed that HTA and decision making based on more comprehensive and inclusive value frameworks could improve health system effectiveness, efficiency, sustainability, and equity; promote transparency in the decision process; sustain a more comprehensive assessment of technologies; and facilitate stakeholder participation as well as accountability of decisions. Criteria that were identified as essential to be included in a value framework for LAtam were burden of illness and severity of the disease, effectiveness and safety of the technology, quality of the evidence, cost-effectiveness, and budget impact. Potential challenges identified for the application of value frameworks in LAtam, included scarcity of human resources and delays in the assessment process.ConclusionsForum participants agreed that the next steps should be to identify appropriate processes and methodologies, adapted to the context of each country, regarding the application of value frameworks to improve the link between HTA and decision making.
Cardiac troponin-I in the serum of infants of diabetic mothers
Authors: Oran Bülent , Çam Lokman , Başpınar Osman , Baysal Tamer , Reisli İsmail , Peru Harun , Karaaslan Sevim , Koç Hasan , Gürbilek Mehmet 
Published: April 2019

A transient form of hypertrophic cardiomyopathy has been previously described in infants of diabetic mothers. When it occurs, it is generally benign. The purpose of our study was to establish the extent of injury to the cardiomyocytes in symptomatic and asymptomatic patients with and without hypertrophic cardiomyopathy.Thus, we compared 35 consecutive patients to 20 healthy controls, establishing the significance, if any, of differences in cardiac troponin-I and creatine kinase, including its MB-fraction, and seeking to establish the value of these parameters in the diagnosis of cardiac injury. We also determined to levels of glucose and insulin in the serum, and took note of electrocardiographic and echocardiographic investigations. Values were determined at the 1st and 7th days after admission in the patients, while parameters were measured in the control group only on the first day.We found that the levels of cardiac troponin-I in the serum, known to be a marker for cardiac injury, were significantly elevated in symptomatic patients with life-threatening respiratory or haemodynamic distress. We speculate that transient ventricular hypertrophy is neither the cause nor the consequence of damage to the cardiomyocytes. It would be interesting, nonetheless, to determine the relationship, if any, between cardiomyocytic damage and clinical outcome.
Cut-off points of anthropometric markers associated with hypertension in the Brazilian population: National Health Survey, 2013
Authors: Souza Ana Paula Alves de , Rodrigues Paulo Rogério Melo , Muraro Ana Paula , Moreira Naiara Ferraz , Sichieri Rosely , Pereira Rosângela Alves , Ferreira Márcia Gonçalves 
Published: April 2019

AbstractObjectiveTo identify cut-off points for waist circumference (WC), waist-to-height ratio (WHtR) and BMI associated with hypertension in the Brazilian adult and elderly population.DesignCross-sectional study. The receiver-operating characteristic (ROC) curve was used to determine the cut-off points of WC, WHtR and BMI in the prediction of hypertension. Those who had systolic blood pressure ≥140 mmHg and/or diastolic blood pressure ≥90 mmHg and those who reported use of antihypertensive medication were considered hypertensive.SettingBrazil.ParticipantsParticipants from the National Health Survey, the Brazilian household-based survey conducted in 2013, of both sexes and age ≥20 years.ResultsCut-off points for WC and WHtR increased with age in both sexes. WC cut-off limits ranged between 88·0 and 95·9 cm in men and between 85·0 and 93·2 cm in women. For WHtR, cut-off scores ranged from 0·51 to 0·58 for men and from 0·53 to 0·61 for women. Additionally, the area under the ROC curve (AUC) for all age and sex groups was greater than 0·60 while the lower limit of the AUC 95 % CI for both WC and WHtR was not less than 0·50. The performance of BMI was similar to that of indicators of fat location.ConclusionsAll analysed anthropometric indicators had similar performance in identifying hypertension in the Brazilian population.
SCOTTISH MEDICAL ETHNOGRAPHY: COLONIAL TRAVEL, STADIAL THEORY AND THE NATURAL HISTORY OF RACE,c.1770–1805
Authors: BUCHAN BRUCE 
Published: April 2019

AbstractThis paper will present a comparative analysis of the ethnographic writings of three colonial travellers trained in medicine at the University of Edinburgh: William Anderson (1750–78), Archibald Menzies (1754–1842) and Robert Brown (1773–1858). Each travelled widely beyond Scotland, enabling them to make a series of observations of non-European peoples in a wide variety of colonial contexts. William Anderson, Archibald Menzies and Robert Brown in particular travelled extensively in the Pacific with (respectively) James Cook on his second and third voyages (1771–8), with George Vancouver (1791–5) and with Matthew Flinders (1801–3). Together, their surviving writings from these momentous expeditions illustrate a growing interest in natural-historical explanations for diversity among human populations. Race emerged as a key concept in this quest, but it remained entangled with assumptions about the stadial historical progress or “civilization” of humanity. A comparative examination of their ethnographic writings thus presents a unique opportunity to study the complex interplay between concepts of race, savagery and civilization in the varied colonial contexts of the Scottish Enlightenment.