bluuebunny/crossref_metadata_2025_split huggingface dataset:
Optical features of ligated semiconducting quantum dots subjected to an electric field
Authors: Mokkath Junais Habeeb 
Published: June 2021

AbstractSemiconducting quantum dots (SQDs) are attractive materials for optoelectronic applications due to the size‐tunable band gaps, colloidal stability, and low‐cost solution processability. In this article, we investigate the modulations in the optical features of COOH + NH3 capped tetrahedral‐shape CdSe SQD in response to the external electric field. We base our calculations on an approach which combines the linear combination of atomic orbitals (LCAO) real‐time‐propagation‐time‐dependent density functional theory (rt‐TDDFT) technique (LCAO‐rt‐TDDFT) and transition contribution maps (two‐dimensional visualization of Kohn–Sham single electron–single hole transitions). Among other insights, our study indicates that electric field causes a redistribution of the oscillator strengths, early onset of absorption, and ligand‐derived trap states near the top of the valence band. These theoretical findings explain the origins of the electric field induced optical features of ligated SQDs.
Allergic bronchopulmonary aspergillosis in a patient with ankylosing spondylitis treated with adalimumab
Authors: Suzuki Yudai , Takasaka Naoki , Matsubayashi Sachi , Kojima Ayako , Shinfuku Kyota , Hasegawa Tsukasa , Yamada Masami , Fujisaki Ikumi , Seki Aya , Seki Yoshitaka , Ishikawa Takeo , Kuwano Kazuyoshi 
Published: June 2021

AbstractWe herein report a case of allergic bronchopulmonary aspergillosis (ABPA) that occurred in a man treated with adalimumab for ankylosing spondylitis (AS). A 69‐year‐old man with a history of ankylosing spondylitis treated by adalimumab, an anti‐tumour necrosis factor‐α (TNF‐α) antibody, developed cough and wheezing. Chest computed tomography showed obstruction of dilated left upper lobe bronchus by high attenuation mucus as well as central bronchiectasis. Both Aspergillus‐specific immunoglobulin E (IgE) and Aspergillus precipitating antibody were positive and Aspergillus fumigatus was detected in a sputum culture. According to the new diagnostic criteria, the patient was diagnosed with ABPA. His condition rapidly improved after the withdrawal of adalimumab and initiation of prednisolone and itraconazole. Anti‐TNF‐α antibody might cause ABPA through both aggravation of the host's T‐helper 2 immunological response and anti‐fungal response.
Sustainable development model for measuring and managing sustainability in the automotive sector
Authors: Jasiński Dominik , Meredith James , Kirwan Kerry 
Published: June 2021

AbstractA growing number of organizations across a variety of industries are now pursuing sustainable management business goals to improve business efficiency, manage stakeholder expectations, or for legislative compliance. This is also the case for automotive manufacturing organizations who are under pressure from their stakeholders to manage and improve sustainability performance. This requires the development of credible measurement tools and systems to enable capture and monitoring of sustainability. This paper describes the development process for an innovative model, named the Automotive Sustainability Assessment Model (A‐SAM), to drive sustainable decision‐making in the automotive sector. The process of developing the model consisted of four major steps, each of which contained series of intermediate steps, individual objectives, and research methods. The model measures, quantifies, and translates a broad range of external effects (both positive and negative) into their monetary equivalents, enabling large car manufacturers to evaluate options, identify win–wins, and optimize trade‐off, while making complex and multidisciplinary sustainability decisions. It allows managers and design engineers in the automotive sector to develop a better understanding of the environmental, resource, and social impacts of their activities, products, processes, and materials used, while still ensuring cost‐effectiveness when making decisions. The A‐SAM shows promise as an effective tool for supporting sustainability decisions in a business environment. Although developed in the context of the automotive industry, it can be adapted by organizations of any type, operating across many different sectors for managing sustainability in a more holistic, comprehensive, and integrated manner.
Surface‐Modified CaO Catalyst for the Production of Glycerol Carbonate
Authors: Kaur Avneet , Ali Amjad 
Published: June 2021

AbstractFor enhancing the moisture resistance properties of the commercial CaO, the surface of the CaO has been modified using various aliphatic and aromatic groups as modifiers. The binding of the modifiers onto the surface of the CaO is confirmed through the FTIR and XPS techniques. For the first time, these modified CaO catalysts have been employed to carry out the transesterification reaction of glycerol and dimethyl carbonate forming glycerol carbonate. Under the optimized reaction conditions, benzyl modified CaO catalyst showed better catalytic activity yielding 82 % glycerol carbonate with 100 % selectivity. The 0.5‐Ben/CaO catalyst is found to resist the presence of 5 wt% H2O content in the reaction due to the formation of hydrophobic layer by the benzyl functionalization over the CaO surface. The humidity test also reveals that the modified CaO showed better resistance to moisture adsorption than its native counterpart.
Nanorod‐Like Polymer Adsorbents with Intermediate Dihydroxy Functional Groups for Efficient Boron Removal
Authors: Sheng Rui , Zhang Yang , Kang Jingjing , Tang Yakun , Zhu Caixia , Liu Lang 
Published: June 2021

AbstractIntermediate dihydroxy (m‐diol) compounds act as grafting groups and one‐dimensional Poly(VBC‐DVB) copolymer as supporter, the short rod‐like adsorbents were prepared by grafting trihydroxymethyl aminomethane (TRIS) and 2‐amino‐1, 3‐propanediol (APD) on the polymer Poly(VBC‐DVB). The as‐synthesized adsorbents exhibit excellent boron adsorption capacities in neutral and weakly alkaline solutions because of the formation of stable six‐membered ring complexes. The novel boron adsorbents have potential applications in boron removal.
Synthesis of Ag(I)@Fum−Pr−Pyr−Benzimidazole and Its Optical and Catalytic Activities in Click Reactions
Authors: Darroudi Mahdieh , Ziarani Ghodsi Mohammadi , Ghasemi Jahan B. , Badiei Alireza 
Published: June 2021

AbstractA hydrophilic fumed silica was used as a support and modified by benzimidazole scaffold, which can be chelate with silver as a highly selective and sensitive receptor to the successive detection of Ag+ ion. Fluorescence properties of Fum−Pr−Pyr−Benzimidazole were verified by the addition of various cations in an aqueous medium, and its high selectivity and sensitivity toward Ag+ ion was observed. Silver ion was placed onto the Fumed‐SiO2 to prepare Ag(I) @Fum−Pr−Pyr−Benzimidazole catalyst using in click chemistry. A number of characterization analyses were used, including FT‐IR, SEM, BET, and EDX, to prove that the Pr‐Pyr‐Benzimidazole and Ag (I) were homogeneously distributed on the fumed‐silica. EDX and SEM analysis were used to characterize the active component distribution.
Magnetic Spin Clusters in Ni2InVO6
Authors: Bobrowska Marta , Zolnierkiewicz Grzegorz , Typek Janusz , Filipek Elzbieta , Prokop Agnieszka 
Published: June 2021

AbstractElectron paramagnetic resonance (EPR) and direct current (dc) magnetisation have been used to investigate the magnetic properties of Ni2InVO6. Previous study demonstrated the presence of a spin‐glass phase in this compound at low temperature. EPR spectra have shown the existence of four different components, attributed to nickel(II) and additionally to iron(III) as an unintentional admixture. The most intense, very broad line was assigned to the nickel spin clusters with strong ferromagnetic short‐range interactions. DC magnetisation measurements as a function of temperature and an external magnetic field indicated the presence of the spin clusters in paramagnetic phase and transition to the cluster spin‐glass state below 4.75 K due to competing ferromagnetic and antiferromagnetic interactions. EPR and magnetisation results are analysed and compared to draw a comprehensive picture of magnetism in Ni2InVO6.
Metalloid Te‐Doped Fe‐Based Catalysts Applied for Electrochemical Water Oxidation
Authors: Wu Xiujuan , Lu Liangjie , Liu Hongzhen , Feng Lu , Li Weijia , Sun Licheng 
Published: June 2021

AbstractMetal telluride nanocatalysts have been widely used in the catalytic reactions. However, there are few examples of electrocatalytic water oxidation with metal telluride as catalysts, especially Fe‐based telluride, to the best of our knowledge, has not yet been reported. In this work, the Te‐doped Fe‐based catalysts (FeTex) with crystalline and amorphous nanosheet structures have been successfully synthesized by chemical vapor deposition (CVD) as well as electrodeposition (ED) on the iron foam (IF), where the latter exhibited more remarkable electrocatalytic performance towards the oxygen evolution reaction (OER) in the alkaline electrolyte, requiring the overpotential (η) of only 264.4 mV to reach a current density of 10 mA cm−2 with a Tafel slope of 54.2 mV dec−1. The electrochemical study confirmed that the residual Te in ED‐FeTex does play a role in promoting the catalytic activity for the electrocatalytic water oxidation.
Organo‐Acid Catalysed Synthesis of 2,2‐Disubstituted Chromans and 1,1‐Disubstituted Indanols/ Indenols
Authors: Behera Sagarika , Bera Nabakumar , Sarkar Debayan 
Published: June 2021

AbstractAn organo‐acid catalyzed approach towards the synthesis of 1,1‐dialkyl‐2,3‐dihydro‐indenols and 2,2‐disubstituted chromans have been achieved. Indane and chroman analogous provide a significant understanding of the chemistry of biological systems. The present reaction condition and the yield achieved is the best amongst the available organo‐catalytic strategies
Chemoselective Synthesis of Substituted Benzo[c]chromen‐6‐ones through Base‐Promoted Reaction of α,β‐Unsaturated Coumarins and α‐Cyano Carbonyls
Authors: Alizadeh Abdolali , Farajpour Behnaz 
Published: June 2021

AbstractA general and efficient method for the chemoselective synthesis of benzo[c]chromen‐6‐ones has been developed. This involved a base‐promoted nucleophilic substitution/deprotonation/intramolecular aldol condensation/carboxylic acid or alkyl hydrogen carbonate elimination/aromatization reaction of α‐cyano carbonyls and α,β‐unsaturated coumarins. Readily available starting materials, green and mild conditions, synthetically useful yields, and operational simplicity are some highlighted advantages of this transformation.
Fluorescent Copper(II) Complexes of Asymmetric Bis(Thiosemicarbazone)s: Electrochemistry, Cellular Uptake and Antiproliferative Activity
Authors: Kirtani Deepti U. , Ghatpande Niraj S. , Suryavanshi Komal R. , Kulkarni Prasad P. , Kumbhar Anupa A. 
Published: June 2021

AbstractTwo new Cu(II) complexes, of the type CuL1 and CuL2, of asymmetric bis(thiosemicarbazone) ligands were synthesized where L1=(E)‐2‐((E)‐3‐(2‐((E)‐2‐(naphthalen‐1‐yl methylene) hydrazine carbonothioyl) hydrazono) butan‐2‐ylidene) hydrazine carbothioamide and L2=(E)‐N‐methyl‐2‐(3‐oxobutan‐2‐ylidene) hydrazine carbothioamide and characterized by elemental analysis, HRMS, IR, EPR and cyclic voltammetry. The complexes undergo reversible one‐electron reduction at E1/2=∼−0.52 V vs Ag/AgCl. Interaction of CuL1 and CuL2 with human serum albumin monitored by fluorescence spectroscopy revealed static quenching with binding constants of the order of 105 M−1. Their cellular uptake and cytotoxicity were studied on MCF‐7 and NIH‐3T3 cells. The results indicate that CuL1 is more cytotoxic owing to its cellular permeability.
A cluster‐based framework for interface analysis in large‐scale aerospace systems
Authors: Goldschmid Josh , Corns Steven 
Published: June 2021

AbstractThis paper proposes a framework using a community maturity level metric to determine the integration readiness of interface elements in a particular network cluster. As a proof of concept this methodology is applied to an aircraft seating system to assess the readiness of complex interfaces before proceeding to full‐scale production and systems integration. A multi‐objective genetic algorithm, MOGA‐Net, is coupled with the Newman‐Girvan modularity metric as a clustering algorithm. This algorithm identifies system elements grouped by common interfaces, referred to as community clusters. The TRL and IRL values for these elements is then used to calculate an overall community maturity level. The achieved performance in these clusters is then compared to the target performance to determine overall maturity of the interfaces. This is compared to other system readiness metrics and interface readiness metrics as applied to the aircraft seating system and was found to be more consistent with subject matter expert evaluations during the critical design review. This gives a better representation of the true readiness of system interfaces before entering design reviews to reduce overall integration risks.
Magnesium lithospermate B supplementation improved prenatal Bisphenol A exposure‐induced metabolic abnormalities in male offspring
Authors: Huang Wei‐Chi , Liao Keng‐Ying , Hsieh Sheng‐Kuo , Pan Ping‐Ho , Kuan Yu‐Hsiang , Liao Su‐Lan , Chen Chun‐Jung , Chen Wen‐Ying 
Published: June 2021

AbstractObesity is closely linked with metabolic diseases, while life and prenatal exposure to endocrine‐disrupting chemicals has been implicated in the development of obesity. Magnesium lithospermate B (MLB), an active compound of Salvia miltiorrhiza (Danshen), has beneficial effects on insulin resistance and metabolic abnormalities in diet‐induced obese rodents. Since exposure to endocrine‐disrupting chemical Bisphenol A (BPA) during pregnancy mimics the effects of high fat diet‐induced alterations of glucose and lipid metabolism in adult male offspring, the effects of daily MLB supplementation for 4 weeks on metabolic abnormalities in rats weaning from prenatal BPA‐exposed dams were investigated. BPA‐exposed rats developed obesity and adiposity concurrent with hyperglycemia, hyperinsulinemia, insulin resistance, hypertriglyceridemia, and elevation of circulating glucagon and free fatty acids. Increased hepatic fatty acid synthesis and decreased fatty acid β‐oxidation, activation of adipocytic adipogenesis, maturation, and lipogenesis, as well as reduction of muscular glucose uptake were demonstrated in BPA‐exposed rats. The aforementioned alterations were improved by MLB supplementation. Additionally, MLB displayed negative effects on glucocorticoid receptor action and inflammation, and promoted lipolysis and thermogenesis in the adipose tissues. In conclusion, our findings suggest that MLB may be a potential therapeutic compound against metabolic diseases, including maternal exposure‐induced metabolic abnormalities.
Development and validation of a prognostic score for long‐term transplant‐free survival in autoimmune hepatitis type 1
Authors: Biewenga Maaike , Verhelst Xavier P.D.M.J. , Baven‐Pronk Martine A.M.C. , Putter Hein , van den Berg Aad P. , van Nieuwkerk Karin C.M.J. , van Buuren Henk R. , Bouma Gerd , de Boer Ynte S. , Simoen Cedric , Colle Isabelle , Schouten Jeoffrey , Sermon Filip , van Steenkiste Christophe , van Vlierberghe Hans , van der Meer Adriaan J. , Nevens Frederik , van Hoek Bart ,   Dutch Autoimmune Hepatitis Study Group
Published: June 2021

AbstractBackgroundNo prognostic score is currently available for long‐term survival in autoimmune hepatitis (AIH) patients.ObjectiveThe aim of this study was to develop and validate such a prognostic score for AIH patients at diagnosis.MethodsThe prognostic score was developed using uni‐ & multivariate Cox regression in a 4‐center Dutch cohort and validated in an independent 6‐center Belgian cohort.ResultsIn the derivation cohort of 396 patients 19 liver transplantations (LTs) and 51 deaths occurred (median follow‐up 118 months; interquartile range 60–202 months). In multivariate analysis age (hazard ratio [HR] 1.045; p < 0.001), non‐caucasian ethnicity (HR 1.897; p = 0.045), cirrhosis (HR 3.266; p < 0.001) and alanine aminotransferase level (HR 0.725; p = 0.003) were significant independent predictors for mortality or LT (C‐statistic 0.827; 95% CI 0.790–0.864). In the validation cohort of 408 patients death or LT occurred in 78 patients during a median follow‐up of 74 months (interquartile range: 25–142 months). Predicted 5‐year event rate did not differ from observed event rate (high risk group 21.5% vs. 15.7% (95% CI: 6.3%–24.2%); moderate risk group 5.8% versus 4.3% (95% CI: 0.0%–9.1%); low risk group 1.9% versus 5.4% (95% CI: 0.0%–11.4%); C‐statistic 0.744 [95% CI 0.644–0.844]).ConclusionsA Dutch‐Belgian prognostic score for long‐term transplant‐free survival in AIH patients at diagnosis was developed and validated.
Wellbeing and Flourishing
Authors: Chaves Covadonga 
Published: June 2021

AbstractThe presence of childhood and adolescent mental illness has risen significantly in recent years. The challenges that modern society poses necessitate providing children with the cognitive, social, and emotional competencies that help them avoid future mental illness as well as flourish socially and professionally. Positive psychology has introduced models of mental health in childhood to incorporate both the ‘treatment/prevention approach’ (i.e., treating and preventing mental disorders; removing negative states) as well as the ‘promotion approach’ (promoting life satisfaction; increasing positive states). In that sense, wellbeing can be defined as feeling good, functioning well, and doing good for others. Flourishing implies feeling satisfied with life and having the ability to live to the fullest. School and family contexts are important in the promotion of wellbeing in childhood. Nowadays, there is evidence that points to the positive association between levels of wellbeing and students’ academic performance, social abilities, and physical and psychological health. Many of the lifelong habits, beliefs, behaviours, and attitudes that a person carries are established in the family context. In this chapter, advances in the incorporation of positive psychology in these developmental environments are reviewed. Special attention is paid to the efficacy of interventions in preventing future psychological problems as well as in promoting childhood wellbeing, and the importance of political commitment to the achievement of generalized and sustainable changes over time is analysed.
The Role of Coping Skills for Developing Resilience Among Children and Adolescents
Authors: Ronen Tammie 
Published: June 2021

AbstractChildren and adolescents experience rapid changes due to development and growth processes, thereby necessitating adaptation and flexibility. In addition, young people also often face environmental crises or traumas, human-made catastrophes, or individual (chronic illness) or family (parent divorce, death of a loved one) crises. In the past, to facilitate young people’s adaptation to change, major aims of parents, teachers, and therapists focused on protecting children and adolescents from harm and helping them grow up in a secure environment. Over time, modern life and the influence of the positive psychology orientation have led to a shift in those aims, which now focus more on helping young people feel happy, flourish, and use their own strengths. A key element in making this process of adaptation to change successful is resilience. This chapter deals with the effects of changes, crises, and traumas on children and adolescents, while focusing on the importance of resilience at the individual, family, and environmental levels. This approach directs adaptation to change efforts towards the present rather than towards the past, thereby meeting the important need of treating children and adolescents who have experienced crisis and trauma by imparting them with skills for better coping today in their major natural environments.
Creative Learning in Education
Authors: Beghetto Ronald A. 
Published: June 2021

AbstractCreative learning in schools represents a specific form of learning that involves creative expression in the context of academic learning. Opportunities for students to engage in creative learning can range from smaller scale curricular experiences that benefit their own and others’ learning to larger scale initiatives that can make positive and lasting contributions to the learning and lives of people in and beyond the walls of classrooms and schools. In this way, efforts aimed at supporting creative learning represent an important form of positive education. The purpose of this chapter is to introduce and discuss the co-constitutive factors involved in creative learning. The chapter opens by clarifying the nature of creative learning and then discusses interrelated roles played by students, teachers, academic subject matter, uncertainty, and context in creative learning. The chapter closes by outlining future directions for research on creative learning and positive education.
School Belonging: The Importance of Student and Teacher Relationships
Authors: Allen Kelly-Ann , Slaten Christopher D. , Arslan Gökmen , Roffey Sue , Craig Heather , Vella-Brodrick Dianne A. 
Published: June 2021

AbstractSchool belonging is associated with a range of positive educational and developmental outcomes, including psychosocial health and wellbeing, prosocial behaviour and academic achievement, and transition into adulthood. However, an increasing number of students worldwide report not feeling a sense of belonging to their school. There is growing research evidence that strong student–teacher relationships can promote school belonging, however creating these relationships within highly complex educational systems can be challenging. Further, only a few interventions focusing specifically on belonging that are available in schools have been found to be effective. This chapter highlights the importance of teacher support for a student’s sense of school belonging, discusses challenges associated with student–teacher relationships, and points to strategies for building strong relationships. We highlight the role that school leaders play in fostering strong relationships, and consider extensions within higher education, and future directions. Considering the importance of student–teacher relationships towards a student’s sense of school belonging, and the empirical base that points to both short- and long-term outcomes, implications for widespread benefits are possible for schools that prioritize and value positive relationships between staff and students.
Systems Informed Positive Education
Authors: Kern Margaret L. , Taylor Jessica A. 
Published: June 2021

AbstractPositive psychology as a discipline has focused primarily on understanding and building individual wellbeing. But the application of positive psychology within schools brings a number of challenges that transcend simplistic approaches. Schools are dynamic in nature and subject to numerous pressures and competing priorities. Positive psychology interventions can be helpful, some of the time, for some people, but there is a need to identify and transcend the limiting paradigms that drive our research, practices, and beliefs, moving beyond simplistic interventions and programs to broader awareness and mindful action. Systems Informed Positive Education (SIPE) explicitly incorporates aspects of the systems sciences into positive education practice and pedagogy to cultivate optimal learning environments that bring out the best in each individual and of the school community as a whole. This chapter describes SIPE, illustrates SIPE in action, and highlights key principles and their implications for embedding wellbeing at the heart of education.