bluuebunny/crossref_metadata_2025_split huggingface dataset:
Achieving Narrow FWHM and High EQE Over 38% in Blue OLEDs Using Rigid Heteroatom‐Based Deep Blue TADF Sensitized Host
Authors: Braveenth Ramanaskanda , Lee Hyuna , Park Jae Doh , Yang Ki Joon , Hwang Soon Jae , Naveen Kenkera Rayappa , Lampande Raju , Kwon Jang Hyuk 
Published: August 2021

AbstractSimultaneously obtaining high efficiency and deep blue emission in organic light emitting diodes (OLEDs) remains a challenge. To overcome the demands associated with deep blue thermally activated delayed fluorescence (TADF) emitters, two deep blue TADF materials namely, DBA–BFICz and DBA–BTICz, are designed and synthesized by incorporating oxygen‐bridged boron (DBA) acceptor with heteroatoms, oxygen and sulphur‐based donors, BFICz and BTICz, respectively. Both TADF materials show deep blue photoluminescence emissions below 450 nm by enhancing the optical band gap over 2.8 eV through deeper highest occupied molecular orbital (HOMO) level of heteroatom based donor moieties. At the same time, the photoluminescence quantum yields (PLQYs) of both TADF materials remain over 94%. The TADF device with DBA–BFICz as an emitter exhibits a good external quantum efficiency (EQE) of 33.2%. Since both new TADF materials show deep blue emissions and high efficiencies, hyperfluorescence (HF) OLED devices are fabricated using ν‐DABNA as a fluorescence dopant. DBA–BFICz as a TADF sensitized host in HF–OLED reveals an outstanding EQE of 38.8% along with narrow full width at half maximum of 19 nm in the bottom emission pure blue OLEDs. This study provides an approach to develop deep blue TADF emitters for highly efficient OLEDs.
Printable and Homogeneous NiOx Hole Transport Layers Prepared by a Polymer‐Network Gel Method for Large‐Area and Flexible Perovskite Solar Cells
Authors: Zhang Shaohua , Wang Hongyu , Duan Xin , Rao Li , Gong Chenxiang , Fan Baojin , Xing Zhi , Meng Xiangchuan , Xie Bing , Hu Xiaotian 
Published: August 2021

AbstractAs one of the most promising hole transport layers (HTLs), nickel oxide (NiOx) has received extensive attention due to its application in flexible large‐area perovskite solar cells (PSCs). However, the poor interface contact caused by inherent easy‐agglomeration phenomenon of NiOx nanoparticles (NPs) is still the bottleneck for achieving high‐performance devices. Herein, a general strategy to synthesize NiOx NPs with high crystallinity and good dispersibility via the polymer network micro‐precipitation method is reported. Promisingly, this approach realizes the flow‐division of precipitant and the restraint of the NPs motion, thereby effectively alleviating the coagulation phenomenon caused by excessive local concentration and secondary movement adsorption. Furthermore, the addition of ionic liquid not only inhibits the secondary aggregation of NiOx NPs during the dispersion process, but also significantly enhances the properties of the colloidal solution. Ultimately, the 1.01 cm2 PSCs based on the optimized NiOx HTLs achieve the champion power conversion efficiency of 20.91% and 19.17% on rigid and flexible substrates, respectively. Moreover, the reproducibility and stability of PSCs are also significantly improved, especially for flexible devices. Overall, this strategy provides the possibility for flexible, large‐area fabrication of high‐quality NiOx HTLs to promote the development of stable and efficient perovskite devices.
A Series of Fused Carbazole/Carbonyl Based Blue to Yellow‐Green Thermally Activated Delayed Fluorescence Materials for Efficient Organic Light‐Emitting Diodes
Authors: Luo Xu‐Feng , Li Fang‐Ling , Zou Jian‐Wei , Zou Qian , Su Jian , Mao Meng‐Xi , Zheng You‐Xuan 
Published: August 2021

AbstractThe exploitation of novel fused carbazole/carbonyl emitters is essential to broaden the application of thermally activated delayed fluorescence (TADF) materials for organic light‐emitting diodes (OLEDs). Here, with the aid of the addition and cyclization of the cyano group with the ortho‐carbazole, fused carbazole/carbonyl based TADF emitters are effectively synthesized via this new synthetic strategy. The attachment of ancillary donors including carbazole, diphenylamine, and phenolazine to the fused carbazole/carbonyl skeletons further tunes their emissions from blue to yellow‐green. Particularly, pure‐blue OLEDs incorporating the peripheral carbazole attached emitter exhibit a maximum external quantum efficiency (EQEmax) of 22.3%, with a small full width at half maximum (FWHM) of 48 nm. In addition, the peripheral phenolazine attached yellow‐green emitter shows extremely small singlet−triplet state energy gap (ΔEST) of 0.01 eV, high photoluminescence quantum efficiency of 82.5%, short delayed fluorescence lifetime of 6.2 µs and good OLED performances with an EQEmax of 21.7%, an FWHM of 68 nm and low efficiency roll‐off. These results demonstrate that the new synthetic strategy for fused carbazole/carbonyl molecules provide a valuable reference for the design of high‐efficient TADF emitters.
Ruthenium Supported on Cobalt‐Embedded Porous Carbon with Hollow Structure as Efficient Catalysts toward Ammonia‐Borane Hydrolysis for Hydrogen Production
Authors: Cui Boyang , Wu Guiming , Qiu Shujun , Zou Yongjin , Yan Erhu , Xu Fen , Sun Lixian , Chu Hailiang 
Published: August 2021

AbstractCatalysts with high activity play an indispensable role in ammonia‐borane (AB) hydrolysis for hydrogen production. Supported catalysts are always used because proper support can effectively prevent metal particle agglomeration. In addition, the interaction between support and metal species can further enhance the catalytic activity. Herein, cobalt‐embedded porous carbon with polyhedral structure (CoPCP) is successfully synthesized by one‐step carbonization of a core‐shell structured ZIF‐8@ZIF‐67 composite. As support, Ru nanoparticles are loaded on CoPCP by in situ reduction to obtain Ru/CoPCP catalysts with a special hollow structure, effectively preventing Ru nanoparticles from agglomeration. Moreover, the existence of synergistic effect between Co metal and Ru nanoparticles in Ru/CoPCP catalyst is confirmed by a series of well‐designed control experiments. Both these factors endow the Ru/CoPCP catalyst with high activity and decent stability toward AB hydrolysis. A low activation energy (Ea = 31.25 kJ mol–1) and a high catalytic performance (turnover frequency = 243.4 molH2 molRu–1 min–1) are simultaneously achieved for Ru1/CoPCP‐1000 even with a low amount of Ru (1.88 wt%). This work represents a promising method to prepare the high‐activity catalysts with low content of noble metals for diverse applications in heterogeneous catalysis.
Use of Interplay between A‐Site Non‐Stoichiometry and Hydroxide Doping to Deliver Novel Proton‐Conducting Perovskite Oxides
Authors: Lee Jin Goo , Naden Aaron B. , Savaniu Cristian D. , Connor Paul A. , Payne Julia L. , M. Skelton Jonathan , Gibbs Alexandra S. , Hui Jianing , C. Parker Stephen , Irvine John T. S. 
Published: August 2021

AbstractThe magnitude of ionic conductivity is known to depend upon both mobility and number of available carriers. For proton conductors, hydration is a key factor in determining the charge–carrier concentration in ABO3 perovskite oxides. Despite the high reported proton mobility of calcium titanate (CaTiO3), this titanate perovskite has thus far been regarded as a poor proton conductor due to the low hydration capability. Here, the enhanced proton conductivity of the defective calcium titanate Ca0.92TiO2.84(OH)0.16 prepared by replacing lattice oxygens with hydroxyl groups via a solvothermal route is shown. Conductivity measurements in a humidified Ar atmosphere reveal that, remarkably, this material exhibits one order of magnitude higher bulk conductivity (10−4 Scm−1 at 200 °C) than hydrated stoichiometric CaTiO3 prepared by traditional solid‐state synthesis due to the higher concentration of protonic defects and variation in the crystal structure. The replacement of Ca2+ by Ni2+ in the Ca1−xTi1O3−2x(OH)2x, which mostly exsolve metallic Ni nanoparticles along orthorhombic (100) planes upon reduction, is also demonstrated. These results suggest a new strategy by tailoring the defect chemistry via hydration or cation doping followed by exsolution for targeted energy applications.
Ancestral patterns of recessive dystrophic epidermolysis bullosa mutations in Hispanic populations suggest sephardic ancestry
Authors: Warshauer Emily Mira , Brown Adam , Fuentes Ignacia , Shortt Jonathan , Gignoux Chris , Montinaro Francesco , Metspalu Mait , Youssefian Leila , Vahidnezhad Hassan , Jacków Joanna , Christiano Angela M. , Uitto Jouni , Fajardo‐Ramírez Óscar R. , Salas‐Alanis Julio C. , McGrath John A. , Consuegra Liliana , Rivera Carolina , Maier Paul A. , Runfeldt Goran , Behar Doron M. , Skorecki Karl , Sprecher Eli , Palisson Francis , Norris David A. , Bruckner Anna L. , Kogut Igor , Bilousova Ganna , Roop Dennis R. 
Published: August 2021

AbstractRecessive dystrophic epidermolysis bullosa (RDEB) is a rare genodermatosis caused by mutations in the gene coding for type VII collagen (COL7A1). More than 800 different pathogenic mutations in COL7A1 have been described to date; however, the ancestral origins of many of these mutations have not been precisely identified. In this study, 32 RDEB patient samples from the Southwestern United States, Mexico, Chile, and Colombia carrying common mutations in the COL7A1 gene were investigated to determine the origins of these mutations and the extent to which shared ancestry contributes to disease prevalence. The results demonstrate both shared European and American origins of RDEB mutations in distinct populations in the Americas and suggest the influence of Sephardic ancestry in at least some RDEB mutations of European origins. Knowledge of ancestry and relatedness among RDEB patient populations will be crucial for the development of future clinical trials and the advancement of novel therapeutics.
A label‐free ratiometric method to detect Hg2+ based on structural change of DNA
Authors: Xu Mingming , Peng Yu , Liu Huan , Tian Xinyu , Yang Hualin , Zhou Yu 
Published: August 2021

AbstractIn this work, a simple ratiometric method has been designed to detect Hg2+ based on the structural change between double‐stranded DNA (dsDNA) and its G‐quadruplex structure. When Hg2+ was added, the designed G‐quadruplex structure could change into the corresponding dsDNA by forming the T–Hg2+–T mismatch. This kind of variation resulted in a decrease in the fluorescence of the G‐quadruplex/N‐methyl mesoporphyrin IX (NMM) complex and an increase in the fluorescence from the dsDNA/SYBR Green I (SG I) pair. The secondary excitation wavelength of SG I was used to excite NMM and SG I simultaneously. The titration experiment indicated that the new method had a linear response within 0.7–2.5 μM Hg2+ with a limit of detection of 9.3 nM. Because using the T–Hg2+–T mismatch to recognize Hg2+ was very specific, the selectivity of the new method was also satisfactory. The recoveries ranged from 92.8% to 110.2% suggested that this new method could achieve a potential application for Hg2+ detection in real environmental samples.
Fostering sustainable entrepreneurship by business strategies: An explorative approach in the bioeconomy
Authors: Urbaniec Maria , Sołtysik Mariusz , Prusak Anna , Kułakowski Konrad , Wojnarowska Magdalena 
Published: August 2021

AbstractThe conceptual framework of bioeconomy advances sustainability by ensuring that environmental, social, and economic goals are met. Although numerous authors perceive bioeconomy as a key sector to achieve sustainable transformation, there is a lack of a comprehensive set of factors determining sustainable entrepreneurship in the bioeconomy sector. This study aims to identify factors influencing business strategies for sustainable entrepreneurship in the bioeconomy sector. This study uses the triangulation of research methods, including the entrepreneurial discovery process, as well as multiple‐criteria methods of the pairwise comparison and the analytic hierarchy process. This study serves as grounds for the identification of priority factors influencing the choice of relevant business strategies in the bioeconomy. Within the framework of the research, five core factors are specified: economic‐and‐financial, market, technological, ecological, organization‐and‐human resources, and legal. The findings reveal that the most significant factors are economic‐and‐financial and market factors that determine the choice of innovative and offensive strategies by bioeconomy enterprises. These strategies impact entrepreneurial decision‐making processes in the environmental and social areas, and they contribute to the development of more sustainable and entrepreneurial ecosystems. To advance the research on sustainable entrepreneurship, different theoretical perspectives are combined, including economics, strategic management, and innovation perspective.
Chemical Constituents from the Rhizome of Ligusticum chuanxiong Hort. and Their Nrf2 Inducing Activity
Authors: Zhang Kan , Fang Kai‐Li , Wang Tian , Xu Lin‐Tao , Zhao Yu , Wang Xiao‐Ning , Xiang Lan , Shen Tao 
Published: August 2021

AbstractThe rhizome of Ligusticum chuanxiong Hort. has been widely used for the therapy of diabetic nephropathy (DN) in traditional Chinese medicine (TCM). The nuclear transcription factor erythroid 2‐related factor (Nrf2) is a potential target for treating DN. The purpose of this research was to study the chemical constituents from the rhizome of L. chuanxiong, evaluate their Nrf2 inducing activity, and find the molecules with potential therapeutic effect against DN. In this study, two new phthalides (1–2) along with twenty‐seven known constituents were obtained from the rhizome of L. chuanxiong. Their structures were elucidated through various spectroscopic methods. Twelve constituents, including eight phthalides (2, 5, 6,10–13, 14) and four other compounds (17, 18, 20,28), stimulated NAD(P)H: quinone reductase (QR) activity, suggesting that these bioactive constituents were potential Nrf2 activators. Among the isolated compounds, phthalide levistolide A (LA, 14) upregulated the protein levels of Nrf2, NQO1, and γ‐GCS in a dose‐dependent manner. Our results implied that the clinical application of the rhizome of L. chuanxiong as an anti‐DN drug in TCM might be attributed to the Nrf2 inducing effect of phthalides. Thus, phthalides is a group of promising leading molecules for discovering anti‐DN agents.
Supported Metal Nanoparticles Assisted Catalysis: A Broad Concept in Functionalization of Ubiquitous C−H Bonds
Authors: Baroliya Prabhat Kumar , Chopra Jaishri , Pal Tanay , Maiti Siddhartha , Al‐Thabaiti Shaeel Ahmed , Mokhtar Mohamed , Maiti Debabrata 
Published: August 2021

AbstractSupported metal nanoparticles (NPs) catalysed chemical transformations have been a vital area of research over the last few decades. Catalysis by supported NPs not only plays a pivotal role in the production of fine chemicals such as coupling products, heterocycles, alcohols, carbonyl compounds, acids, etc. but also provides sustainable chemical processes. The use of supported metal NPs provides a much prosperous basis than conventional homogeneous and heterogeneous catalysts for tuning reactivity, recyclability, high productivity and environment benevolent alternative for C−H functionalization. Consequently, as evidenced in the literature, various support materials such as silica, metal oxides, zeolites, carbon‐based materials, bio‐materials, magnetic materials, and MOFs have been moderately investigated in order to exploit their benefit in supported metal NPs catalyzed various C−H functionalizations. This review aims to summarize recent advances in the development of new support materials or novel supported NPs catalytic systems for functionalization of the challenging C−H bond under heterogeneous conditions. Furthermore, a deep scientific understanding of the mechanisms, active species, role of base and oxidants for these systems are also discussed to gain insight into the advance in the rational design of efficient catalytic systems, which may serve as an inspiration to researchers in their future work.
Valmet Chiral Schiff‐Base Ligands And Their Copper(II) Complexes as Organo, Homogeneous and Heterogeneous Catalysts for Henry, Cyanosilylation and Aldol Coupling Reactions
Authors: Arora Zinnia , Eftemie Diana‐Ioana , Spinciu Adela , Maxim Cătălin , Hanganu Ana‐Maria , Tudorache Madalina , Cojocaru Bogdan , Pavel Octavian D. , Granger Pascal , Andruh Marius , Pârvulescu Vasile I. 
Published: August 2021

AbstractCyanosilylation, aldol coupling and asymmetric Henry reactions were carried out with L‐ and D‐valmet ligands in different configurations: i) coordinated to sodium ions, as organocatalysts, with week base properties, ii) complexes with copper(II), as homogeneous catalysts, and iii) immobilized copper(II) complexes onto graphene oxide (GO) as heterogeneous catalysts. For the reaction of benzaldehyde and nitromethane in water these afforded an asymmetric Henry reaction, with a spectacular increase of the conversion and ee (92.5 and 95.8 %, respectively) after the deposition on GO. Ligand complexed copper was also effective for cyanosilylation and Aldol coupling reaction.
Kinetic study on alkylation of hydroquinone with methanol over SO3H functionalized Brønsted acidic ionic liquids
Authors: Bhongale Priyanka V. , Amonkar Amogh A. , Joshi Sunil S. , Mali Nilesh A. 
Published: August 2021

AbstractO‐alkylation of a dihydric phenol (i.e., hydroquinone) with methanol in presence of benzoquinone catalyzed by double SO3H functionalized Brønsted acidic ionic liquids (i.e., 1,3‐disulphonic acid imidazolium hydrogen sulphate, 1,3‐disulphonic acid benzimidazolium hydrogen sulphate, and sulphuric acid) is studied in a batch reactor. The sensitivity of activity and selectivity with reaction time, temperature, speed of agitation, and catalyst loading was examined. The plausible reaction pathways proposed based on the experimental observations and detailed kinetic investigation are performed by assuming a homogeneous reaction phase. The kinetic parameters, such as pre‐exponential factor and activation energy, are estimated for both ionic liquids and sulphuric acid by considering all competitive reactions, and comparative results were presented. An extended form of the Arrhenius equation is used to estimate the kinetic parameters for the reaction which showed curvature in against a plot. The model prediction with the estimated kinetic parameters is in good agreement with the experimental data, which confirmed the model validity in the experimental operating range. It was found that ionic liquid has a potential application in the synthesis of a selective monoalkylated product of hydroquinone. The kinetic analysis performed is found to be useful in the understanding of process behaviour.
The setting up and running of a children's activity group and learning centre for children with haematological and oncology conditions
Authors: Daruvala Rhea , Narasimha Valli , Sharad Sandhya , Bhatnagar Manjari , Kumar Prem , Bhat Sunil 
Published: August 2021

AbstractBackgroundChildren diagnosed with haematological and oncology conditions spend long periods of time undergoing treatments in hospital. Treatments are intensive and may include combinations of chemotherapy, radiation, surgery and bone marrow transplants. This often means that they have prolonged hospital stays away from family, friends and familiar environments.AimWe aimed at starting an activity group and learning centre based in the hospital setting for children undergoing treatment for haematological and oncology conditions.MethodsThe activity group and learning centre was set up in a tertiary care hospital under the department of Paediatric Haematology, Oncology and Bone Marrow Transplantation with the support of a local NGO called ‘Samiksha Foundation’ in Bangalore, India. Children who participated in the programme engaged in learning through participation in the activity groups which engaged in academic and non‐academic activities. The activity group and learning centre was piloted in April and May of 2019. During the pilot sessions, 156 children participated in the group. Children of all ages were welcome to attend and were given activities based on their age and learning levels. Until March 2020, the group has seen over 600 children in attendance.ResultsThis methods report examines various aspects of the activity group such as setting up of the activity groups, how they are run, the activities conducted in the groups and the effects the group has had on children and their families as reported by them while undergoing treatment.ConclusionThe overall response to the activity groups was positive and widely accepted among our patient community. The intervention proved to be effective, easy to implement and relatively inexpensive. We hope that by sharing data from our centre, more paediatric units may be able to implement such groups for children.
Feature based opinion analysis on social media tweets with association rule mining and multi‐objective evolutionary algorithms
Authors: Meesala Shobha Rani , Subramanian Sumathy 
Published: August 2021

AbstractSocial media platform has achieved wide popularity in presenting the user‐generated information online. The proliferation of user‐generated content through social networking sites can enhance the existing transportation system. This work adds to the existing research by proposing a novel system to assess transit rider's reviews on the quality of transport services using Twitter information. A novel framework of a multi‐objective evolutionary approach with association rule mining is proposed for feature‐based opinion analysis on social media transit reviews. Feature‐based opinion analysis is performed in two steps such as feature extraction and opinion analysis. First, the corpus of association rules is generated with opinion analysis, morphological and syntactic analysis, and semantic representation. Then, multi‐objective flower pollination, multi‐objective gray wolf, multi‐objective moth flame, and multi‐objective cat swarm optimization are applied to discover high‐quality association rules on the transit user's opinion. The experimental results indicate that multi‐objective cat swarm optimization using association rule mining performs better in terms of confidence, coverage, the interestingness of the rules, computational time, mean average support, and mean average confidence than the other proposed as existing approaches. It is observed that MCSO‐ARM achieved an improvement in the range of 0.21%–0.27% in terms of confidence, 0.10%–0.13% in coverage, 0.10%–0.25% in interestingness, the computational time of 27.5 s, mean average support value of 0.10%–0.30% and mean of 0.20%–0.30% compared to the existing MPSO‐ARM and other proposed MGWO‐ARM, MMFO‐ARM, and MFPO‐ARM approaches.
Enhancement of the Tetrel Bond by the Effects of Substituents, Cooperativity, and Electric Field: Transition from Noncovalent to Covalent Bond
Authors: Liu Na , Xie Xiaoying , Li Qingzhong , Scheiner Steve 
Published: August 2021

AbstractThe T⋅⋅⋅N tetrel bond (TB) formed between TX3OH (T=C, Si, Ge; X=H, F) and the Lewis base N≡CM (M=H, Li, Na) is studied by ab initio calculations at the MP2/aug‐cc‐pVTZ level. Complexes involving TH3OH contain a conventional TB with interaction energy less than 10 kcal/mol. This bond is substantially strengthened, approaching 35 kcal/mol and covalent character, when fluorosubstituted TF3OH is combined with NCLi or NCNa. Along with this enhanced binding comes a near equalization of the TB T⋅⋅⋅N and the internal T−O bond lengths, and the associated structure acquires a trigonal bipyramidal shape, despite a high internal deformation energy. This structural transformation becomes more complete, and the TB is further strengthened upon adding an electron acceptor BeCl2 to the Lewis acid and a base to the NCM unit. This same TB strengthening can be accomplished also by imposition of an external electric field.