bluuebunny/crossref_metadata_2025_split huggingface dataset:
Rigid Arrangements of Ionic Charge in Zeolite Frameworks Conferred by Specific Aluminum Distributions Preferentially Stabilize Alkanol Dehydration Transition States
Authors: Hoffman Alexander J. , Bates Jason S. , Di Iorio John R. , Nystrom Steven V. , Nimlos Claire T. , Gounder Rajamani , Hibbitts David 
Published: July 2020

AbstractZeolite reactivity depends on the solvating environments of their micropores and the proximity of their Brønsted acid sites. Turnover rates (per H+) for methanol and ethanol dehydration increase with the fraction of H+ sites sharing six‐membered rings of chabazite (CHA) zeolites. Density functional theory (DFT) shows that activation barriers vary widely with the number and arrangement of Al (1–5 per 36 T‐site unit cell), but cannot be described solely by Al–Al distance or density. Certain Al distributions yield rigid arrangements of anionic charge that stabilize cationic intermediates and transition states via H‐bonding to decrease barriers. This is a key feature of acid catalysis in zeolite solvents, which lack the isotropy of liquid solvents. The sensitivity of polar transition states to specific arrangements of charge in their solvating environments and the ability to position such charges in zeolite lattices with increasing precision herald rich catalytic diversity among zeolites of varying Al arrangement.
Orthogonal Stability and Reactivity of Aryl Germanes Enables Rapid and Selective (Multi)Halogenations
Authors: Fricke Christoph , Deckers Kristina , Schoenebeck Franziska 
Published: July 2020

AbstractWhile halogenation is of key importance in synthesis and radioimaging, the currently available repertoire is largely designed to introduce a single halogen per molecule. This report makes the selective introduction of several different halogens accessible. Showcased here is the privileged stability of nontoxic aryl germanes under harsh fluorination conditions (that allow selective fluorination in their presence), while displaying superior reactivity and functional‐group tolerance in electrophilic iodinations and brominations, outcompeting silanes or boronic esters under rapid and additive‐free conditions. Mechanistic experiments and computational studies suggest a concerted electrophilic aromatic substitution as the underlying mechanism.
A Hydrothermally Stable Irreducible Oxide‐Modified Pd/MgAl2O4 Catalyst for Methane Combustion
Authors: Yang Jingyi , Peng Mi , Ren Guoqing , Qi Haifeng , Zhou Xue , Xu Jun , Deng Feng , Chen Zhiqiang , Zhang Jingcai , Liu Kaipeng , Pan Xiaoli , Liu Wei , Su Yang , Li Weizhen , Qiao Botao , Ma Ding , Zhang Tao 
Published: July 2020

AbstractCatalytic combustion is promising in removing trace amounts of CH4 to address serious environmental concerns. Supported Pd‐based catalysts are most effective but often suffer from low stability in applications owing to the water‐vapor‐induced sintering. Herein, we develop a universal strategy to prepare irreducible‐oxide‐modified Pd/MgAl2O4 catalysts which show high activity and excellent stability against both hydrothemal aging at elevated temperatures and deactivation in long‐term reaction under wet conditions. The addition of irreducible oxides inhibited the deep oxidation of Pd in the oxygen‐rich conditions, which preserved not only the epitaxial structure but also a suitable active phase of Pd‐PdOx on MgAl2O4, thus promoting both activity and stability. This work provides new insights into the effect of metal–oxide interaction on CH4 combustion and offers an avenue to design hydrothermally stable and active combustion catalysts for industrial applications.
Proapoptotic Peptide Brush Polymer Nanoparticles via Photoinitiated Polymerization‐Induced Self‐Assembly
Authors: Sun Hao , Cao Wei , Zang Nanzhi , Clemons Tristan D. , Scheutz Georg M. , Hu Ziying , Thompson Matthew P. , Liang Yifei , Vratsanos Maria , Zhou Xuhao , Choi Wonmin , Sumerlin Brent S. , Stupp Samuel I. , Gianneschi Nathan C. 
Published: July 2020

AbstractHerein, we report the photoinitiated polymerization‐induced self‐assembly (photo‐PISA) of spherical micelles consisting of proapoptotic peptide–polymer amphiphiles. The one‐pot synthetic approach yielded micellar nanoparticles at high concentrations and at scale (150 mg mL−1) with tunable peptide loadings up to 48 wt. %. The size of the micellar nanoparticles was tuned by varying the lengths of hydrophobic and hydrophilic building blocks. Critically, the peptide‐functionalized nanoparticles imbued the proapoptotic “KLA” peptides (amino acid sequence: KLAKLAKKLAKLAK) with two key properties otherwise not inherent to the sequence: 1) proteolytic resistance compared to the oligopeptide alone; 2) significantly enhanced cell uptake by multivalent display of KLA peptide brushes. The result was demonstrated improved apoptosis efficiency in HeLa cells. These results highlight the potential of photo‐PISA in the large‐scale synthesis of functional, proteolytically resistant peptide–polymer conjugates for intracellular delivery.
The use of separate‐level neuraxial anaesthesia for caesarean delivery in a patient with a history of spinal tuberculosis
Authors: Kearsley R. , Elliott S. , Smith C. , Stocks G. 
Published: July 2020

AbstractWe present the case of a 33‐year‐old parturient who required caesarean delivery at 31 weeks' gestation. She had a history of degenerative disease of the lumbar spine secondary to tuberculosis, acquired as a child in India. Her complex medical history also included ischaemic heart disease and obstructive sleep apnoea, and due to this general anaesthesia was considered to be of high risk. However, regional anaesthesia also posed significant challenges because magnetic resonance imaging of the spine showed a partial collapse with subsequent fusion of second and third lumbar vertebral bodies with thoracolumbar kyphosis. Neuraxial anaesthesia was performed with ultrasound guidance for determining levels and depth of epidural space. An epidural was inserted at the T12–L1 interspace and a spinal anaesthetic block was placed at L4–L5. Delivery and recovery were uneventful. This case highlights the safe and effective use of neuraxial anaesthesia in an asymptomatic patient with treated spinal tuberculosis as well as the usefulness of high‐quality imaging of the spine in the decision to perform neuraxial anaesthesia.
To be seen and heard: Enhancing student engagement to support university aspirations and expectations for students from low socioeconomic status backgrounds
Authors: Cunninghame Ian , Vernon Lynette , Pitman Tim 
Published: July 2020

An important goal for educators is to foster student engagement in order to support a sense of valuing and aspiring to higher levels of education. To value education, students need to perceive that they are welcome, express their ideas and engage meaningfully in each education space they enter. Therefore, ‘pupil voice’ has the potential to become an important influencing factor regarding the degree to which students become self‐regulated learners, value educationand consequently support their aspirations and build their expectations to go on to university. This study examines the role pupil voice plays in building cognitive and emotional engagement, and whether this, in turn, builds desire for further study and expectations for university entry. Pupil voice is operationalised as the extent to which the student feels heard, involved and supported by the school community. Student survey data was collected (N = 542) from a low socioeconomic status region of the southwest corridor of metropolitan Perth, Western Australia. Structural equation modelling substantiated our serial mediation hypothesis. For students, a discernible pupil voice significantly and positively increased cognitive engagement (self‐regulated learning), which increased emotional engagement (valuing education) that, in turn, increased university desires, which led to increased university expectations. The results of this study underscore the importance of policies and practical interventions designed to develop strong student–teacher relationships, where students feel they are both seen and heard.
Predicting biofilm deformation with a viscoelastic phase‐field model: Modeling and experimental studies
Authors: Li Mengfei , Matouš Karel , Nerenberg Robert 
Published: July 2020

AbstractBiofilms commonly develop in flowing aqueous environments, where the flow causes the biofilm to deform. Because biofilm deformation affects the flow regime, and because biofilms behave as complex heterogeneous viscoelastic materials, few models are able to predict biofilm deformation. In this study, a phase‐field (PF) continuum model coupled with the Oldroyd‐B constitutive equation was developed and used to simulate biofilm deformation. The accuracy of the model was evaluated using two types of biofilms: a synthetic biofilm, made from alginate mixed with bacterial cells, and a Pseudomonas aeruginosa biofilm. Shear rheometry was used to experimentally determine the mechanical parameters for each biofilm, used as inputs for the model. Biofilm deformation under fluid flow was monitored experimentally using optical coherence tomography. The comparison between the experimental and modeling geometries, for selected horizontal cross sections, after fluid‐driven deformation was good. The relative errors ranged from 3.2 to 21.1% for the synthetic biofilm and from 9.1 to 11.1% for the P. aeruginosa biofilm. This is the first demonstration of the effectiveness of a viscoelastic PF biofilm model. This model provides an important tool for predicting biofilm viscoelastic deformation. It also can benefit the design and control of biofilms in engineering systems.
A case‐based learning approach to online biochemistry labs during COVID‐19
Authors: Thibaut Dylan , Schroeder Kersten T. 
Published: July 2020

AbstractWith biochemistry forced to transition to remote‐teaching online, the cooperative active learning and problem‐solving normally in labs have been limited. With little ability to perform experiments with laboratory equipment, determining how to mimic the qualities integral to these labs in an online environment is necessary. We propose one possible solution to provide online labs: short case‐based learning activities.
Intra and inter: Alterations in functional brain resting‐state networks after peripheral nerve injury
Authors: Xing Xiang‐Xin , Hua Xu‐Yun , Zheng Mou‐Xiong , Ma Zhen‐Zhen , Huo Bei‐Bei , Wu Jia‐Jia , Ma Shu‐Jie , Ma Jie , Xu Jian‐Guang 
Published: July 2020

AbstractIntroductionNumerous treatments suggest that brain plasticity changes after peripheral nerve injury (PNI), and most studies examining functional magnetic resonance imaging focused on abnormal changes in specific brain regions. However, it is the large‐scale interaction of neuronal networks instead of isolated brain regions contributed to the functional recovery after PNI. In the present study, we examined the intra‐ and internetworks alterations between the related functional resting‐state networks (RSNs) in a sciatic nerve injury rat model.MethodsNinety‐six female rats were divided into a control and model group. Unilateral sciatic nerve transection and direct anastomosis were performed in the latter group. We used an independent component analysis (ICA) algorithm to observe the changes in RSNs and assessed functional connectivity between different networks using the functional networks connectivity (FNC) toolbox.ResultsSix RSNs related to PNI were identified, including the basal ganglia network (BGN), sensorimotor network (SMN), salience network (SN), interoceptive network (IN), cerebellar network (CN), and default mode network (DMN). The model group showed significant changes in whole‐brain FC changes within these resting‐state networks (RSNs), but four of these RSNs exhibited a conspicuous decrease. The interalterations performed that significantly decreased FNC existed between the BGN and SMN, BGN and IN, and BGN and DMN (p < .05, corrected). A significant increase in FNC existed between DMN and CN and between CN and SN (p < .05, corrected).ConclusionThe results showed the large‐scale functional reorganization at the network level after PNI. This evidence reveals new implications to the pathophysiological mechanisms in brain plasticity of PNI.
Understanding student perceptions of worked example videos through the technology acceptance model
Authors: Dart Sarah , Cunningham‐Nelson Sam , Dawes Les 
Published: July 2020

AbstractThe transition from face‐to‐face to blended course offerings requires a significant investment in technology and human resourcing to generate the online component, and there is a risk of underutilisation of the online resources by students. However, understanding the features that encourage (rather than hinder) learning can enable more intentional designs which are likely to be embraced by learners, thus resulting in high usage rates. This study explored the features of worked example videos (WEVs) used in the blended delivery of three undergraduate engineering courses. Thematic analysis of end‐of‐semester survey responses and a focus group discussion was used to identify the features that impacted students' ease of use and usefulness perceptions, and thus explain the underlying drivers for engagement through the lens of the technology acceptance model. Features influencing perceived ease of use were accessibility, personal agency, findability, and instructional design and production. Features influencing perceived usefulness were the audio explanations for understanding, content scaffolding, and course alignment. These findings provide insights for educators on how to capitalise on WEV design and delivery characteristics to ensure that students perceive the resources as being easy to engage with and highly useful for their learning.
Development of a photovoltaic panel emulator and LabVIEW‐based application platform
Authors: Gürkan Serkan , Karapınar Mustafa , Sorgunlu Hasan , Öztürk Onur , Doğan Seydi 
Published: July 2020

AbstractIn this study, a photovoltaic (PV) panel emulator was developed based on a single diode model of a PV cell, and four prototypes of this kind emulator have been produced. In addition, an electronic potentiometer and a central control unit were developed to be used in experimental studies. Each of the developed emulators was planned to be at least 16 W in power. LabVIEW‐based interfaces were designed to reveal the electrical characteristics of the PV panel emulator and compare them with that of an actual PV panel, and the acquired electrical data were graphical analyzed with Matlab program. Results show that the developed PV panel emulator and actual PV panel characteristics are consistent with each other. A low‐cost system which does not need light source for experimental studies has been developed to be used in renewable energy laboratories, and to give psychomotor and cognitive behaviors to students.
Combining the project‐based learning methodology and computer simulation to enhance the engagement in the context of Environmental Engineering courses
Authors: Faba Laura , Díaz Eva 
Published: July 2020

AbstractThis paper analyses the good results obtained in an Environmental Engineering course at the master level after a complete revision of the lecturing system. The traditional methodology (lectures and seminars) was substituted by a project‐based learning strategy, in which students work in groups proposing and developing technical solutions to an actual environmental problem, with the aim of identifying the optimum one, combining technical and economic points of view. This new teaching methodology has been identified as a good approach to increase the students' engagement, with significant improvements in grades (from average values close to 5/10 to >7/10) and better impressions expressed by the students, which can identify the relevance of environmental problems in the development of their own professional curriculum. The core of this methodology is the use of GPS‐X software to study and analyse the different approaches proposed by the students as solutions for their project, to optimise the designs, to study the sensitivity to different process conditions and to evaluate the energy and maintenance costs of each proposal. GPS‐X software is an inductive and comprehensive tool to reinforce previous theoretical concepts and allows a fast analysis of the responses of industrial plants after each disruption, increasing the dynamism of the learning process. The final assessment, based on the continuous evaluation and a final written report, allows the evaluation of transversal skills, such as teamwork, self‐management, communication and problem‐solving, difficult to assess by a traditional methodology.
La Bella Figura: The role of a cultural philosophy on Italian consumerism
Authors: Ramos‐Ortiz Jaziel , Meier Stephanie , Rossi Melissa , Heyrman Heather , Reddy Megha , DeMaria Andrea L. 
Published: July 2020

AbstractThe La Bella Figura concept extends to many Italian cultural dimensions including physical appearance, perception of self, and behaviours. La Bella Figura plays an essential role in shaping Italian consumer behaviour and consumerism. The current study sought to understand how women living in Italy conceptualize La Bella Figura and how it affects their day‐to‐day lives, attitudes, and consumption behaviours. This research extracted concepts from Consumer Culture Theory to construct a qualitative codebook and structure thematic data analyses. Semi‐structured interviews were conducted with 30 women aged 18–50 years living in Florence, Italy. Participants were recruited through study flyers, social media, and snowball sampling. Open and axial coding were facilitated by HyperRESEARCH 4.0.1 software to generate key themes. Data were collected and analyzed by trained researchers living in Florence, Italy, who utilized grounded theory techniques to identify emergent themes. Results indicated various components of La Bella Figura contributed to consumer behaviour, namely its influence on identity (i.e., appearance, confidence), lifestyle goals (i.e., health, consumerism), and social norms (i.e., perceptions of others, media). Findings offer practical recommendations for marketers and retailers to appeal to the Italian market through effective and informed mediums.
Chemical Components and Antibacterial Activity of the Essential Oil of Six Pyrrosia Species
Authors: Fan Ya , Feng Haiyang , Liu Li , Zhang Yingying , Xin Xiaowei , Gao Demin 
Published: July 2020

AbstractThe present study was aimed at analyzing the chemical components of the essential oil from six Pyrrosia species by GC/MS and evaluating their in vitro antibacterial activities. Seventy volatile compounds were identified in the essential oil of six Pyrrosia samples. The identified volatile components were divided into following nine categories: aldehydes, terpenoids, fatty acids, ketones, furans, hydrocarbons, alcohols, esters, and phenols. The major components of the essential oil were 2,4‐pentadienal, phytol and nonanal. The antimicrobial assays showed that the essential oils from Pyrrosia samples exhibited a broad‐spectrum antimicrobial activity. However, P. lingua had the highest antibacterial activity against Staphylococcus aureus (ATCC 25923) with a minimum inhibitory concentration (MIC) of 2.5 μL/mL. This article is the first report of the chemical components and antimicrobial activity of the essential oil from six Pyrrosia species, which will lay the foundation for developing medicinal resources from Pyrrosia fronds.
Women with chronic kidney disease undergoing transcatheter aortic valve replacement: Caveat emptor
Authors: Parikh Puja B. , Reilly John P. 
Published: July 2020

Key Points
Over 60% of women presenting for transcatheter aortic valve replacement (TAVR) have coexisting chronic kidney disease (CKD).
In women undergoing TAVR, CKD was associated with significantly higher rates of adverse events, including a twofold higher rate of risk‐adjusted mortality at 1 year.
This study is an important step forward in our understanding of risk stratification in women with CKD undergoing TAVR and suggests that measures to optimize outcomes warrant further investigation in this high‐risk group of patients.
Fragmentation Mechanism of White Phosphorus: A Theoretical Insight into Multiple Cleavage/Formation of P−P and P−C Bonds
Authors: Luo Gen , Du Shanshan , Wang Pan , Liu Fan , Zhang Wen‐Xiong , Luo Yi 
Published: July 2020

AbstractMolecular‐level understanding of metal‐mediated white phosphorus (P4) activation is meaningful but challenging because of its direct relevance to the conversion of P4 into useful organophosphorus compounds as well as the complicated and unforeseeable cleavage process of P−P bonds. The related study, however, has still rarely been achieved to date. Here, a theoretical insight into the step‐by‐step process of three P−P bond cleavage/four P−C bond formation for [P3+P1]‐fragmentation of P4 mediated by lutetacyclopentadienes is reported. The unique charge‐separated intermediate and the intermolecular cooperation between two lutetacyclopentadienes play a vital role in the subsequent P−P/P−C bond breaking/forming. It is found that, although the first P−C formation is involved in the assembly of the cyclo‐P3 [R4C4P3]− unit, the construction of the aromatic five‐membered P1 heterocycle [R4C4P]− is completed prior to the cyclo‐P3 formation. The reaction mechanism has been carefully elucidated by analyses of the geometric structure, frontier molecular orbitals, bond index, and natural charge, which greatly broaden and enrich the general knowledge of the direct functionalization of P4.
Copper‐Based Hybrid Polyion Complexes for Fenton‐Like Reactions
Authors: Mestivier Mathieu , Li Jun Rong , Camy Aurèle , Frangville Camille , Mingotaud Christophe , Benoît‐Marquié Florence , Marty Jean‐Daniel 
Published: July 2020

AbstractAn innovative strategy allowing the development of a new generation of easy‐to‐prepare and easy‐to‐use nano‐sized catalysts with high tenability is presented. This strategy is based on the formation of hybrid polyion complexes (HPICs) from the complexation of copper with a block copolymer consisting of an ionizable complexing block and a neutral stabilizer block. These complexes have a well‐defined structure and size with a hydrodynamic diameter around 29 nm. They are stable in aqueous solution over a pH range from 4 to 8 and are not sensitive to NaCl salt addition or dilution effects. As a proof‐of‐concept the degradation of naphthol blue black in water through the use of the Fenton or photo‐Fenton reaction is studied. Their performances are comparable to a classical homogeneous reaction, whereas HPICs are easily recyclable by simple dialysis.
The use of natural (Pinus pinaster) resin in the production of printing ink and the printability effect
Authors: Karademir Arif , Aydemir Cem , Yenidogan Semiha , Arman Kandırmaz Emine , Kıter Rukiye G. 
Published: July 2020

AbstractAlkyd resins are generally used in the production of printing inks. All industries look for alternative raw materials in the production of ink with the growing inclination toward using natural products. Resins forming the vehicle of the ink to be obtained from natural resources will provide benefits for the environment, nature, and living creatures. The aim of the study was to promote the use of natural resin in the ink system. Natural Pinus pinaster resin was added into vegetable and mineral oil‐based solvents in pure form with alkyd resin in different amounts and ink varnishes of different combinations were prepared. Then, printing inks were produced from these varnishes in pure and hybrid form. Following the assessment of the rheological properties of the inks prepared, printing tests were conducted to assess the printing quality parameters. Ideal mixing ratios of the natural resins in the ink were determined for printability. The environmental importance and advantages of the use of natural resins were discussed. Recommendations were given in line with the results to encourage widespread use of natural resins in near future.