bluuebunny/crossref_metadata_2025_split huggingface dataset:
Improved Output Performance of Direct‐Current Triboelectric Nanogenerator through Field Enhancing Breakdown Effect
Authors: Chen Shengyang , Liu Di , Zhou Linglin , Li Shaoxin , Zhao Zhihao , Cui Shengnan , Gao Yikui , Li Yanhong , Wang Zhong Lin , Wang Jie 
Published: June 2021

AbstractThe emerging direct‐current triboelectric nanogenerator (DC‐TENG) does not need to be rectified and is not restricted by a dielectric breakdown compared with an alternating current TENG (AC‐TENG). Furthermore, the charge density of the DC‐TENG reaches an ultrahigh level far beyond that of the AC‐TENG based on a rational design. However, there are always some electrons remaining on the surface of the dielectric after the breakdown process in the DC‐TENG, and therefore a low charge utilization is obtained. Herein, a simple and universal method is proposed through a double‐layer structure design, that is, a triboelectric layer as the friction layer and an electret layer charged through a surface treatment as the field‐enhancing layer to further improve the output performance of the DC‐TENG, which is inspired by the fable “The Crow and the Pitcher.” Owing to the external field‐enhancing breakdown effect, a double improvement in the breakdown efficiency and output charge density is obtained compared with a conventional DC‐TENG. Moreover, a nearly constant output current has been demonstrated for directly powering electronics without a rectifier. This study provides a universal method for optimizing the output performance of a DC‐TENG.
Na Replaces Rb towards High‐Performance Narrow‐Band Green Phosphors for Backlight Display Applications
Authors: Liao Min , Wang Qiang , Lin Qiuming , Xiong Mingxiang , Zhang Xin , Dong Huafeng , Lin Zhiping , Wen Minru , Zhu Daoyun , Mu Zhongfei , Wu Fugen 
Published: June 2021

AbstractThe improvement of high‐performance narrow‐band green phosphors in backlight display applications is still a major challenge. Based on the UCr4C4type of oxide phosphor, the high‐performance narrow‐band green phosphors Rb3M(Li3SiO4)4:Eu2+(M = Rb or Na) are studied in different luminous positions. Benefiting from the replacement of Rb by Na, the change of the local environment in the crystal structure of Rb3Na(Li3SiO4)4:Eu2+(R3NLSO:Eu2+) leads to the decrease of Stokes shift, which improves the quantum efficiency. Moreover, change in the local environment enhances the structural rigidity, which makes the thermal and chemical stability better. The R3NLSO:8%Eu2+phosphor presents a narrow‐band green emission centered at 527 nm, excellent thermal stability (102% @150 °C of the integrated emission intensity at room temperature), and high internal/external quantum efficiency (85.3%/40.4%). The white light‐emitting diode (wLED) using R3NLSO:8%Eu2+phosphor presents a superior luminous efficiency of 128.3 lm W‐1and a wide color gamut. All the results indicate that R3NLSO:8%Eu2+green phosphor has great application prospects in the field of liquid crystal display. This work also provides important guiding significance for the optimization of alkali metal element type of phosphors.
All‐Inorganic Rare‐Earth Halide Double Perovskite Single Crystals with Highly Efficient Photoluminescence
Authors: Zhang Ruiling , Wang Zhongyi , Xu Xin , Mao Xin , Xiong Jin , Yang Yang , Han Keli 
Published: June 2021

AbstractHalide double perovskites have been regarded as promising alternatives to famous lead halide perovskites in the field of luminescent materials. However, the low‐emission efficiency of pristine ones and the lack of efficient blue emitters remain considerable obstacles for their applications in light‐emitting devices. Here, an air‐stable, all‐inorganic Sc‐based double perovskite Cs2NaScCl6 is reported, which exhibits strong blue emission peaking at 445 nm with an averaged quantum yield of 29.05% (the highest reported value for pristine halide double perovskites). The rare‐earth double perovskite also shows excellent stability against heat and irradiation. Bulk perovskite Cs2NaScCl6 can be an effective host to incorporate Mn2+ ions, yielding interesting tunable dual broadband emission, slightly redshifted blue emission (450 nm) from the host and red emission (635 nm) from Mn2+ d–d transitions. These findings present a new direction toward the design of high‐efficiency, stable, and environmentally friendly perovskite light emitters.
Alkynylazulenes as Building Blocks for Highly Unsaturated Scaffolds
Authors: Elwahy Ahmed H. M. , Hafner Klaus 
Published: June 2021

AbstractRecently developed routes to the synthesis of mono‐ and polyethynylated azulenes and their transformations into linear oligoazulenes with ethynyl and butadiynyl bridges as well as azulenyl‐substituted benzenes, cyclobutadiene complexes, and azulene‐substituted tetracyanobutadienes are reviewed. The utility of ethynylazulene derivatives for the synthesis of azulene‐substituted heterocycles has also been reviewed.
The decision‐making processes and preferences of older Australians purchasing home support services: An explorative inquiry using a “think‐aloud” technique
Authors: Rahja Miia , Laver Kate , Phillipson Lyn , Comans Tracy , Crotty Maria 
Published: June 2021

ABSTRACTConsumer‐directed care (CDC) programmes, in principle, provide consumers with choices around who provides care services to them, what services and when. However, literature around consumer behaviour of older adults, especially concerning the factors that may support home care choices, is sparse. The purpose of this study was to understand the decision‐making processes and spending preferences of community‐dwelling seniors assessed eligible for CDC home care services. We completed an explorative inquiry using a “think‐aloud” technique with eligible consumers in South Australia. The inquiry had two components. First, consumers used imitation money to simulate the purchase of home care supports while talking out loud their decision‐making processes. Then, semi‐structured interviews were completed to identify underlying thoughts that informed the decisions made and spending preferences. Fifteen consumers, mean age 82 years (range 70–94), participated. The most frequently prioritised choice was domestic assistance. However, choices were made based on a perceived hierarchy of need (due to limits placed on available budgets for care). Interview data revealed that the decision making and service preferences were also based on limited knowledge about what was available. Consumers revealed perceived value in purchasing expert advice to guide their choices and preference for relational not transactional service delivery.
Molecular Basis for Two Stereoselective Diels–Alderases that Produce Decalin Skeletons**
Authors: Fujiyama Keisuke , Kato Naoki , Re Suyong , Kinugasa Kiyomi , Watanabe Kohei , Takita Ryo , Nogawa Toshihiko , Hino Tomoya , Osada Hiroyuki , Sugita Yuji , Takahashi Shunji , Nagano Shingo 
Published: June 2021

AbstractEnzymes catalyzing [4+2] cycloaddition have attracted increasing attention because of their key roles in natural product biosynthesis. Here, we solved the X‐ray crystal structures of a pair of decalin synthases, Fsa2 and Phm7, that catalyze intramolecular [4+2] cycloadditions to form enantiomeric decalin scaffolds during biosynthesis of the HIV‐1 integrase inhibitor equisetin and its stereochemical opposite, phomasetin. Computational modeling, using molecular dynamics simulations as well as quantum chemical calculations, demonstrates that the reactions proceed through synergetic conformational constraints assuring transition state‐like substrates folds and their stabilization by specific protein‐substrate interactions. Site‐directed mutagenesis experiments verified the binding models. Intriguingly, the flexibility of bound substrates is largely different in two enzymes, suggesting the distinctive mechanism of dynamics regulation behind these stereoselective reactions. The proposed reaction mechanism herein deepens the basic understanding how these enzymes work but also provides a guiding principle to create artificial enzymes.
From Selection to Instruction and Back: Competing Conformational Selection and Induced Fit Pathways in Abiotic Hosts
Authors: Pavlović Radoslav Z. , Lalisse Remy F. , Hansen Alexandar L. , Waudby Christopher A. , Lei Zhiquan , Güney Murat , Wang Xiuze , Hadad Christopher M. , Badjić Jovica D. 
Published: June 2021

AbstractTwo limiting cases of molecular recognition, induced fit (IF) and conformational selection (CS), play a central role in allosteric regulation of natural systems. The IF paradigm states that a substrate “instructs” the host to change its shape after complexation, while CS asserts that a guest “selects” the optimal fit from an ensemble of preexisting host conformations. With no studies that quantitatively address the interplay of two limiting pathways in abiotic systems, we herein and for the first time describe the way by which twisted capsule M‐1, encompassing two conformers M‐1(+) and M‐1(−), trap CX4 (X=Cl, Br) to give CX4⊂M‐1(+) and CX4⊂M‐1(−), with all four states being in thermal equilibrium. With the assistance of 2D EXSY, we found that CBr4 would, at its lower concentrations, bind M‐1 via a M‐1(+)→M‐1(−)→CBr4⊂M‐1(−) pathway corresponding to conformational selection. For M‐1 complexing CCl4 though, data from 2D EXSY measurements and 1D NMR line‐shape analysis suggested that lower CCl4 concentrations would favor CS while the IF pathway prevailed at higher proportions of the guest. Since CS and IF are not mutually exclusive, we reason that our work sets the stage for characterizing the dynamics of a wide range of already existing hosts to broaden our fundamental understanding of their action. The objective is to master the way in which encapsulation takes place for designing novel and allosteric sequestering agents, catalysts and chemosensors akin to those found in nature.
Steaming, boiling after pre‐frying, and stir‐frying influence the fatty acid profiles and oxidative stability of soybean oil blended with docosahexaenoic acid algal oil
Authors: Huang Jianhua , Zhao Zhengmei , Shao Linya , Chang Chang , Sun Xuemei , Wang Xiaosan , Jin Qingzhe , Wang Xingguo 
Published: June 2021

AbstractThe objective of this study was to improve the content of docosahexaenoic acid (DHA) and obtain the blended oils used for different cooking methods (steaming, boiling, and stir‐frying) by blending 0%–15% DHA algal oil into soybean oil. It was shown that the addition of DHA algal oil increased saturated fatty acid (SFA) (1.57%) but decreased monounsaturated fatty acid (MUFA) (0.76%) and polyunsaturated fatty acid (PUFA) (0.68%). Various cooking methods significantly changed the fatty acid (FA) compositions. Steaming is a more effective way to prevent DHA loss and the production of trans‐fatty acid than boiling and stir‐frying. Besides, a positive result from free fatty acid (FFA) and peroxide value also demonstrated that steaming was a better way to protect oils. Overall, the soybean oil blended with 3% DHA algal oil with better oxidative stability and could be recommended for daily application by steaming.
Active airflow of the paranasal sinuses in extinct crocodyliforms: Evidence from a natural cast of the thalattosuchianDakosaurus andiniensis
Authors: Fernández Marta S. , Herrera Yanina 
Published: June 2021

AbstractThe evolution of Thalattosuchia documents the unique shift among Crocodylomorpha from aquatic continental/coastal habitats to a fully pelagic lifestyle. This transition was coupled with deep modification of their skeletons, such as hydrofoil forelimbs, hypocercal tail, and loss of osteoderms. The natural snout casts of the rhacheosaurinCricosaurus araucanensisshowed that it also included changes in the internal anatomy of the snout like the enlargement of nasal glands (probably for salt excretion) and the rearrangement of the paranasal sinus system, including the internalization of the antorbital sinus. Here we described the snout natural cast of the geosaurinDakosaurus andiniensisfrom the Late Jurassic of Patagonia. The information provided by it indicates that, despite having different external morphologies and ecology,D. andiniensisandC. araucanensisshare the same facial anatomy. The new cast preserves a suborbital diverticulum of the antorbital sinus protruding into the orbit through the postnasal fenestra. Its location indicates that it was interleaved with jaw adductor muscles suggesting an active airflow in the paranasal sinus. We provide a putative functional interpretation of this peculiar arrangement where bellow pumps actions of musculature may help drain salt glands. The rearrangement of the paranasal sinuses predates the transition to a completely pelagic‐lifestyle. We proposed a stepwise evolutionary scenario of Thalattosuchia, implying changes in the preorbital region (and orbit orientation) where the internalized antorbital sinus via its subsidiary diverticulum was co‐opted for helping nasal glands drainage. Further scrutiny of facial anatomy of a larger sample of thalattosuchians will help to test this hypothesis.
Gender identification on Twitter
Authors: Ikae Catherine , Savoy Jacques 
Published: June 2021

AbstractTo determine the author of a text's gender, various feature types have been suggested (e.g., function words, n‐gram of letters, etc.) leading to a huge number of stylistic markers. To determine the target category, different machine learning models have been suggested (e.g., logistic regression, decision tree, k nearest‐neighbors, support vector machine, naïve Bayes, neural networks, and random forest). In this study, our first objective is to know whether or not the same model always proposes the best effectiveness when considering similar corpora under the same conditions. Thus, based on 7 CLEF‐PAN collections, this study analyzes the effectiveness of 10 different classifiers. Our second aim is to propose a 2‐stage feature selection to reduce the feature size to a few hundred terms without any significant change in the performance level compared to approaches using all the attributes (increase of around 5% after applying the proposed feature selection). Based on our experiments, neural network or random forest tend, on average, to produce the highest effectiveness. Moreover, empirical evidence indicates that reducing the feature set size to around 300 without penalizing the effectiveness is possible. Finally, based on such reduced feature sizes, an analysis reveals some of the specific terms that clearly discriminate between the 2 genders.
Is the tropical cyclone surge in Shanghai more sensitive to landfall location or intensity change?
Authors: Wang Shuai , Toumi Ralf , Ye Qinghua , Ke Qian , Bricker Jeremy , Tian Zhan , Sun Laixiang 
Published: June 2021

AbstractIt has been shown that the proportion of intense tropical cyclones (TCs) has been increasing together with a poleward migration of TC track. However, their relative importance to TC surge at landfall remains unknown. Here we examine the sensitivity of TC surge in Shanghai to landfall location and intensity with a new dynamical modelling framework. We find a surge sensitivity of 0.8 m (°N)−1 to landfall location, and 0.1 m (m s−1)−1 to wind speed in Shanghai during landfall. The landfall location and intensity are comparably important to surge variation. However, based on a plausible range of reported trends of TC poleward migration and intensity, the potential surge hazard due to poleward migration is estimated to be about three times larger than that by intensity change. The long‐term surge risk in Shanghai is therefore substantially more sensitive to changes of TC track and landfall location than intensity. This may also be true elsewhere and in the future.
Special volume, preface – 9th International Workshop on Astronomy and Relativistic Astrophysics: From Quarks to Cosmos
Authors: Zen Vasconcellos César A. , Hess Peter O. , Piccinelli Gabriella , Magaña Mariana Vargas , Ureña‐Lopez Luis , Felipe Ricardo Gonzalez , Boller Thomas , Gullberg Steven 
Published: June 2021

AbstractThis special volume includes contributions from some of the most relevant scientists who have participated in the IWARA 2020 Video Conference. The series of meetings known by the acronyms IWARA, STARS, and SMFNS,—more than a congregation of events, students and researchers which in itself would be extremely important for science—became in last years a kind of platform for scientific and academic projects, partnerships and presentation of high‐quality research contributions describing original and unpublished results on several topics related as new phenomena and new states of matter in the Universe, general relativity, gravitation, cosmology, astrophysics, particle and nuclear physics, and topics related. And the scientists participating in this volume, perfectly integrated with this design, bring more than just a glimpse into the technical toolbox of their work, be it theoretical or experimental. In addition to international scientific recognition, these researchers are mentors of students and young researchers, and demonstrate, in these contributions, also glimpses of systematically complex decisions made about the interpretation of data, about which problems are relevant to pursue, thus contributing a lot to the craft of science and its development.
Fluorescence‐based screening for engineered aldo‐keto reductase KmAKR with improved catalytic performance and extended substrate scope
Authors: Qiu Shuai , Xu Shen‐Yuan , Li Shu‐Fang , Meng Kang‐Ming , Cheng Feng , Wang Ya‐Jun , Zheng Yu‐Guo 
Published: June 2021

AbstractBackgroundAldo‐keto reductases‐catalyzed transformations of ketones to chiral alcohols have become an established biocatalytic process step in the pharmaceutical industry. Previously, we have discovered an aldo‐keto reductase (AKR) from Kluyveromyces marxianus that is active to the aliphatic tert‐butyl 6‐substituted (5R/S)‐hydroxy‐3‐oxohexanoates, but it is inactive to aromatic ketones. In order to acquire an excellent KmAKRmutant for ensuring the simultaneous improvement of activity‐thermostability toward tert‐butyl 6‐cyano‐(5R)‐hydroxy‐3‐oxohexanoate ((5R)‐1) and broadening the universal application prospects toward more substrates covering both aliphatic and aromatic ketones, a fluorescence‐based high‐throughput (HT) screening technique was established.Main Methods and Major ResultsThe directed evolution of KmAKR variant M5 (KmAKR‐W297H/Y296W/K29H/Y28A/T63M) produced the “best” variant M5‐Q213A/T23V. It exhibited enhanced activity‐thermostability toward (5R)‐1, improved activity toward all 18 test substrates and strict R‐stereoselectivity toward 10 substrates in comparison to M5. The enhancement of enzymatic activity and the extension of substrate scope covering aromatic ketones are proposed to be largely attributed to pushing the binding pocket of M5‐Q213A/T23V to the enzyme surface, decreasing the steric hindrance at the entrance and enhancing the flexibility of loops surrounding the active center. In addition, combined with 0.94 g dry cell weight (DCW) L−1 glucose dehydrogenase from Exiguobacterium sibiricum (EsGDH) for NADPH regeneration, 2.81 g DCW L−1 M5‐Q213A/T23V completely converted (5R)‐1 of up to 450 g L−1 at 120 g g–1 substrates/catalysts (S/C), yielding the corresponding optically pure tert‐butyl 6‐cyano‐(3R,5R)‐dihydroxyhexanoate ((3R,5R)‐2, > 99.5% d.e.p) with a space‐time yield (STY) of 1.08 kg L−1 day−1.ConclusionsA fluorescence‐based HT screening system was developed to tailor KmAKR's activity, thermostability and substrate scope. The “best” variant M5‐Q213A/T23V holds great potential application for the synthesis of aliphatic/aromatic R‐configuration alcohols.
The GLP‐1/GIP dual‐receptor agonist DA5‐CH inhibits the NF‐κB inflammatory pathway in the MPTP mouse model of Parkinson's disease more effectively than the GLP‐1 single‐receptor agonist NLY01
Authors: Lv MiaoJun , Xue GuoFang , Cheng HuiFeng , Meng PengFei , Lian Xia , Hölscher Christian , Li DongFang 
Published: June 2021

AbstractThe GLP‐1 receptor agonist exendin‐4 has recently shown good effects in a phase II clinical trial in Parkinson's disease (PD) patients. Here, a comparison of the new GLP‐1/GIP dual receptor agonist DA5‐CH and NLY01, a 40 kDa pegylated form of exendin‐4, on motor impairments and reducing inflammation in the 1‐methyl‐4‐phenyl‐1,2,3,6‐tetrahydropyridine (MPTP) PD mouse model is provided. The drug groups received either DA5‐CH or NLY01 (25 nmol/kg) i.p. after daily MPTP intraperitoneal injection. Both drugs showed improvements in motor activity, open field experiments, rotarod tests, and gait analysis, but DA5‐CH was more potent. Tyrosine hydroxylase expression in dopaminergic neurons was much reduced by MPTP and improved by DA5‐CH, while NLY01 showed weak effects. When analyzing levels of α‐synuclein (α‐Syn), DA5‐CH reduced levels effectively while NLY01 had no effect. When measuring the levels of the inflammation markers Toll‐like receptor 4 (TLR4), specific markers of microglia activation (Iba‐1), the marker of astrocyte activation glial fibrillary acidic protein (GFAP), nuclear factor‐κB (NF‐κB), tumor necrosis factor (TNF‐α), and transforming growth factor β1 (TGF‐β1), DA5‐CH was very effective in reducing the chronic inflammation response, while NLY01 did not show significant effects. Levels of key growth factors such as Glial cell‐derived neurotrophic factor (GDNF) and Brain‐derived neurotrophic factor (BDNF) were much reduced by MPTP, and DA5‐CH was able to normalize levels in the brain, while NLY01 showed little effect. The levels of pro‐inflammatory cytokines (IL‐6 and IL‐Iβ) were much reduced by DA5‐CH, too, while NLY01 showed no effect. In a separate experiment, we tested the ability of the two drugs to cross the blood‐brain barrier. After injecting fluorescin‐labelled peptides peripherally, the fluorescence in brain tissue was measured. It was found that the pegylated NLY01 peptide did not cross the BBB in meaningful quantities while exendin‐4 and the dual agonist DA5‐CH did. The results show that DA5‐CH shows promise as a therapeutic drug for PD.