bluuebunny/crossref_metadata_2025_split huggingface dataset:
Complementary Actions of Tungsten Oxides and Carbon to Catalyze the Redox Reaction of VO2+/VO2+ in Vanadium Redox Flow Batteries
Authors: Kimura Kento , Miyahara Yuto , Kondo Yasuyuki , Yokoyama Yuko , Abe Takeshi , Miyazaki Kohei 
Published: September 2021

AbstractRedox flow batteries (RFBs), which are based on the redox reaction of vanadium ions, are expected to be a promising energy buffer for renewable energy because of their large‐scale potential. However, the reaction overvoltage associated with the redox of vanadium ions is large, and highly active electrocatalysts are urgently needed. In this study, we prepared thin‐film model electrodes to evaluate the catalytic activities of tungsten oxide, which is known to be an electrocatalyst for accelerating the redox of vanadium ions and investigated the reaction mechanism. The results showed that tungsten oxide only catalyzed the reduction of VO2+, while carbon only catalyzed the oxidation of VO2+, but not both redox reactions. Our results revealed for the first time that the catalytic sites active in the charging and discharging of RFB are different, which is an important finding for the construction of highly active electrocatalysts.
Super‐Flexible Carbon Nanofiber Networks Containing PAN/PVP and Composites Coated with NiCo2O4 Nanosheets as Self‐Supporting Electrodes for Supercapacitors and Sodium‐Ion Batteries**
Authors: Chai Shanshan , Dong Kangze , Wu Tong , Wu Qingsheng 
Published: September 2021

AbstractThe rapid development of wearable electronics requests a higher energy‐storage‐device flexibility. Nevertheless, the fabrication of high‐performance electrodes for achieving the goal of super‐flexibility remains challenging. In this work, novel super‐flexible PAN/PVP carbon nanofiber networks (PAN/PVP CNFs, PCF) are prepared by electrospinning followed by in situ carbonisation, whose micro‐mesoporous structure could disperse stress during folding and super‐flexible PCF/NCONS self‐supporting electrodes are fabricated through the electrodeposition of NiCo2O4 nanosheets (NCONS) with three‐dimensional membrane structure on the PCF firmly. The obtained PCF/NCONS cannot only achieve 8000 times folding, but also show high electrochemical performance for both supercapacitors and sodium‐ion batteries (SIBs). For supercapacitor, the specific capacitance of the PCF/NCONS reaches 1403.5 F/g at 1 A/g and it could maintain at 95.7 % after 2000 cycles. The PCF/NCONS electrodes are also used to fabricate an asymmetric supercapacitor device. The device exhibit high energy density (26.96 Wh/kg), high power density (3870.69 W/kg at 14.52 Wh/kg) and outstanding cycling stability (96.8 % retention after 3000 cycles). For SIBs, the PCF/NCONS electrodes show a high reversible capacity of 227.68 mAh/g after 100 cycles at a current density of 0.1 A/g. The super‐flexible PCF/NCONS electrodes have a wide application prospect for flexible electronics.
Thiophene with Oligoethylene Oxide Side Chain Enables Random Terpolymer Acceptor to Achieve Efficient All‐Polymer Solar Cells
Authors: Wu Feiyan , Liu Jinliang , Liu Jiabin , Oh Jiyeon , Huang Bin , Chen Dong , Liu Zuoji , He Qiannan , Yang Changduk , Chen Lie 
Published: September 2021

AbstractThe development of high‐performance polymer acceptors is the key challenge for all‐polymer solar cells (All‐PSCs), especially related morphology control in the blend film. Herein, we introduce a thiophene with oligoethylene oxide side chain (TOE) as the third unit into a D‐A copolymer PYT by simple random polymerization. Rigid‐fused unit Y5 with large planar or quasi‐plane surfaces are partially substituted to obtain a series of novel random terpolymers PYT‐TOE(x) (x represents the molar ratio of TOE unit). The electron‐deficient unit Y5 partly replaced by electron‐rich unit TOE realizes the increase of LUMO energy levels. More importantly, a moderate amount loading of TOE not only modulate the polymer acceptor solubility and molecule arrangement, but also perfect the compatibility between the polymer donor and acceptor. Thus, optimized crystallinity and π‐π stacking of blend film are obtained, which is favorable for charge transfer and better film morphology. Eventually, accompanied by improved JSC, VOC and FF simultaneously, the device photoelectric conversion efficiency (PCE) increase from 11.75 % for PBDB‐T:PYT to 12.77 % for PBDB‐T:PYT‐TOE(10). These results indicate that the random ternary copolymerization of small molecule acceptor with functional third unit TOE is a simple but effective strategy to develop polymer acceptors for high‐efficiency All‐PSCs.
Lanthanide‐Hypophosphite Frameworks with Guanidinium Guest Showing High Proton Conductivity
Authors: Li Quan‐Wen , Li Zhao‐Yang , Li Kai , Xia Bin , Li Na , Bu Xian‐He 
Published: September 2021

Main observation and conclusionProton‐conductive metal‐organic frameworks (MOFs) have attracted great attention for their promising application in membrane fuel cells. To explore proton‐conductive MOFs with high performance, here we present four lanthanide‐hypophosphite frameworks with distinct amine guests. These complexes possess a general formula [AH][Gd2(H2PO2)7] (AH = protonated amines). Due to the rich hydrogen bond networks, complex 1 with guanidinium as guest shows high proton conductivity of 1.75 × 10–2 S·cm–1 at a relative humidity of 97% (368 K). We also studied the magnetic properties of complex 1 and reveal that the hypophosphite ligand transfers weak antiferromagnetic interactions between Gd3+ ions.
Comparison of six assessment tools to screen for obstructive sleep apnea in patients with hypertension
Authors: Zheng Zhenzhen , Sun Xishi , Chen Riken , Lei Wei , Peng Min , Li Xiongbin , Zhang Nuofu , Cheng Junfen 
Published: September 2021

AbstractBackgroundObstructive sleep apnea (OSA) is often accompanied by other complications, especially hypertension.HypothesisThe purpose of this study is to compare the application value of six tools in the screening of OSA in patients with hypertension. Compared with other questionnaires, we hypothesized that Berlin performed better in screening hypertensive patients suspected of OSA.MethodsIn this study, we collected the basic data and polysomnography (PSG) data of patients diagnosed with hypertension who underwent PSG at the Sleep Medicine Center of the First Affiliated Hospital of Guangzhou Medical University from April 2012 to March 2021. The sensitivity, specificity, positive predictive value, negative predictive value, area under the curv (AUC) and diagnostic odds ratio (DOR) of the six screening tools were then calculated, and their correlation with the sleep apnea hypopnea index (AHI) analyzed.ResultsThere were 303 males (303/398, 76.1%) out of 398 hypertension patients suspected of OSA. The area under the curve of the Berlin questionnaire's receiver operating characteristic (ROC) curve reached 0.753 (95%CI: 0.707–0.794). When the AHI was 5, 15 and 30 times/h as the cut‐off points, the sensitivity and negative predictive value of Berlin were the highest at 0.947 and 0.630, 0.970 and 0.851, and 0.988 and 0.957 respectively, while the specificity and positive predictive value of the Epworth Sleepiness Scale (ESS) were the highest at 0.696 and 0.729, 0.750 and 0.887, and 0.674 and 0.575 respectively. The DOR value of the Berlin questionnaire could reach 18.333 when the AHI cut‐off point was 30 times/h. Berlin had the largest rank correlation coefficient with AHI at 0.466.ConclusionThe Berlin questionnaire can be considered a priority for the screening and stratifying of hypertensive patients suspected of OSA.
Bioisosteric Modification of To042: Synthesis and Evaluation of Promising Use‐Dependent Inhibitors of Voltage‐Gated Sodium Channels
Authors: Milani Gualtiero , Cavalluzzi Maria Maddalena , Altamura Concetta , Santoro Antonella , Perrone Mariagrazia , Muraglia Marilena , Colabufo Nicola Antonio , Corbo Filomena , Casalino Elisabetta , Franchini Carlo , Pisano Isabella , Desaphy Jean‐François , Carrieri Antonio , Carocci Alessia , Lentini Giovanni 
Published: September 2021

AbstractThree analogues of To042, a tocainide‐related lead compound recently reported for the treatment of myotonia, were synthesized and evaluated in vitro as skeletal muscle sodium channel blockers possibly endowed with enhanced use‐dependent behavior. Patch‐clamp experiments on hNav1.4 expressed in HEK293 cells showed that N‐[(naphthalen‐1‐yl)methyl]‐4‐[(2,6‐dimethyl)phenoxy]butan‐2‐amine, the aryloxyalkyl bioisostere of To042, exerted a higher use‐dependent block than To042 thus being able to preferentially block the channels in over‐excited membranes while preserving healthy tissue function. It also showed the lowest active transport across BBB according to the results of P‐glycoprotein (P‐gp) interacting activity evaluation and the highest cytoprotective effect on HeLa cells. Quantum mechanical calculations and dockings gave insights on the most probable conformation of the aryloxyalkyl bioisostere of To042 in solution and the target residues involved in the binding, respectively. Both approaches indicated the conformations that might be adopted in both the unbound and bound state of the ligand. Overall, N‐[(naphthalen‐1‐yl)methyl]‐4‐[(2,6‐dimethyl)phenoxy]butan‐2‐amine exhibits an interesting toxico‐pharmacological profile and deserves further investigation.
Facile Synthesis of ZnPc‐Polydopamine Co‐loaded Nanoparticles for Synergetic Photodynamic‐Photothermal Therapy
Authors: Qin Jinglei , Guo Lanying , Yang Tingyu , Wu Xi , Wang Zhi , Xie Fang , Peng Hongshang 
Published: September 2021

AbstractA major obstacle to clinical photodynamic therapy (PDT) is tissue hypoxia in a solid tumor, which substantially reduces therapeutic efficacy by insufficient oxygen supply. To tackle this issue, herein, we reported a type of facilely prepared multifunctional nanoparticles (NPs) for combined treatment of PDT and photothermal therapy (PTT). A novel dopamine‐modified epoxysilane (GSDA) was firstly synthesized from 3‐glycidoxypropyl(trimethoxy) silane and dopamine via ring‐opening reaction, which was subsequently incorporated into NPs along with zinc(II) phthalocyanine (ZnPc) via a reprecipitation‐encapsulation method. Interestingly, polydopamine (PDA) was found to be automatically developed inside NPs by oxidative polymerization of dopamine monomers. Owing to strong‐light‐absorption PDA and ZnPc, the resultant biocompatible NPs exhibited high photothermal conversion efficiency (η=46.4%) and a decent singlet oxygen quantum yield (ΦΔ=0.28), respectively, under the irradiation of 808 nm and 660 nm light. Synergetic treatment was then performed on tumor cells using the multifunctional NPs, i. e., PDT followed by PTT, and enhanced phototherapeutic efficacy was achieved, particularly in the case of hypoxia. This work demonstrates that (i) the newly‐synthesized GSDA might function as a bi‐functional coupling agent for silica and PDA coating, and (ii) the simply‐prepared NPs are very promising for synergetic PDT/PTT of solid tumors.
Spark‐based parallel processing whale optimization algorithm
Authors: Alshayeji Mohammad , Behbehani Bader , Ahmad Imtiaz 
Published: September 2021

SummarySwarm intelligence meta‐heuristic optimization algorithms for optimizing engineering applications have become increasingly popular. The whale optimization algorithm (WOA) is a recent and effective swarm intelligence optimization algorithm that mimics humpback whales' behaviors when optimizing a problem. Applying the algorithm to achieve optimal solutions has shown good results compared to most meta‐heuristic optimization algorithms. However, complex applications might require the processing of large‐scale computations, which results in down‐scaling computational throughput of WOA. Apache Spark, a well‐known parallel data processing framework, is the most recent distributed computing framework and has been proven to be the most efficient. In this article, we propose a WOA implementation on top of Apache Spark, represented as SBWOA, to enhance its computational performance while providing higher scalability of the algorithm for handling more complex problems. Compared with the recently reported MapReduce WOA (MR‐WOA), and serial implementation of WOA, our approach achieves significant enhancements with respect to computational performance for the highest population size with the maximum number of iterations. SBWOA successfully handles higher‐complexity problems which require complex computations.
Adamantane Substitution Effects on Crystallization and Electrooptical Properties of Epindolidione and Quinacridone Dyes
Authors: Richtar Jan , Ciganek Martin , Prochazkova Anna Jancik , Kovalenko Alexander , Seelajaroen Hathaichanok , Kratochvíl Matouš , Weiter Martin , Yumusak Cigdem , Sariciftci Niyazi Serdar , Lukeš Vladimir , Krajcovic Jozef 
Published: September 2021

AbstractThe synthesis, experimental and theoretical study of the novel air‐stable four adamantane‐bearing dyes based on the trans‐epindolidione (EPI) and trans‐quinacridone (QA) cores are presented. Compared to the parent EPI and QA, the methyl‐/ethyladamantyl substitution ensures that their structural stability in crystals is preserved due to the self‐organizing properties of adamantyl groups. The investigated materials are solution‐processable in common organic solvents and possess excellent thermal stability. The very good solubility was achieved by a one‐step short and easy synthesis, which resulted in moderate yields of a new family of synthesized dyes. The ethyladamantyl EPI derivative (3) exhibits a unique rise in thermal stability reaching 412 °C. The resulting electrochemical band gap carried out on thin‐film evaporated on ITO‐coated glass electrodes was in the range of 2.4–2.5 eV. The experimental HOMO energies range from −6.2 to −6.0 eV, and LUMO energies lay between −3.7 and −3.5 eV. The prepared compounds are characterized by strong fluorescence in solutions and in powder, suggesting a decrease in the extent of non‐radiative relaxation processes.
Thermochemiluminescence‐Based Sensitive Probes: Synthesis and Photophysical Characterization of Acridine‐Containing 1,2‐Dioxetanes Focusing on Fluorophore Push‐Pull Effects
Authors: Moroni Giada , Calabria Donato , Quintavalla Arianna , Lombardo Marco , Mirasoli Mara , Roda Aldo , Gioiello Antimo 
Published: September 2021

AbstractN‐substituted acridine‐containing 1,2‐dioxetanes have been recently proposed as thermochemiluminescence (TCL) universal labels for bioanalytical applications. The TCL properties of these compounds markedly depend on the nature of substituents of the acridine ring. In the attempt to obtain new TCL probes with improved properties and stability, the push‐pull approach was adopted, in which both electron withdrawing and electron donating groups are present in the acridine moiety. The results have been useful to better understand the role of the different decorations at the acridine fluorophore in modulating the photophysical properties and the activation parameters of 1,2‐dioxetane labels. Moreover, the great versatility and innovation of these molecules make them extremely attractive for bioanalytical applications, in particular as labels for immune‐ and gene‐probe assays.
First‐Principles Molecular Dynamics Study of the Threshold Displacement Energy in LiFe5O8
Authors: Tan Shijie , Zhang Wei , Jiao Feng , Zhou Yongchuan , Yang Lu , Shi Wenwu , Wang Zhiguo 
Published: September 2021

AbstractThe threshold displacement energies (TDEs) of lattice atoms in lithium ferrite (LiFe5O8) are calculated using first‐principles molecular dynamics simulations. The TDEs vary with crystal direction and sublattice. The weighted average TDEs are 34.65, 28.54, 38.85, 37.92, and 34.31 eV for FeTetra, FeOct, Li, OI, and OII atoms in LiFe5O8, respectively. The FeOct primary knock‐on atom (PKA) has the smallest TDE. Various defects, including vacancies (, , , , and ), interstitials (IFe, ILi and IO), antisite defects (, and ), split interstitials (, , , and ), crowding defects (CrowFeFeFe) and exchange defects (OO), are formed by low‐energy recoil events. The effect of the presence of these defects on the magnetic behavior in LFO is investigated using density functional theory. The occupation of the octahedral and tetrahedral sublattice in LiFe5O8 has an important effect on magnetization. The net magnetization decreases or increases when a Fe atom at an octahedral or tetrahedral site is replaced by a nonmagnetic atom, respectively. These results are helpful for using irradiation to tune the magnetic behavior of LiFe5O8 and applying magnetic devices based on LiFe5O8 in the presence of irradiation.
Risk of dementia in APOE ε4 carriers is mitigated by a polygenic risk score
Authors: Ebenau Jarith L. , van der Lee Sven J. , Hulsman Marc , Tesi Niccolò , Jansen Iris E. , Verberk Inge M.W. , van Leeuwenstijn Mardou , Teunissen Charlotte E. , Barkhof Frederik , Prins Niels D. , Scheltens Philip , Holstege Henne , van Berckel Bart N.M. , van der Flier Wiesje M. 
Published: September 2021

AbstractIntroductionWe investigated relationships among genetic determinants of Alzheimer's disease (AD), amyloid/tau/neurodegenaration (ATN) biomarkers, and risk of dementia.MethodsWe studied cognitively normal individuals with subjective cognitive decline (SCD) from the Amsterdam Dementia Cohort and SCIENCe project. We examined associations between genetic variants and ATN biomarkers, and evaluated their predictive value for incident dementia. A polygenic risk score (PRS) was calculated based on 39 genetic variants.
The APOE gene was not included in the PRS and was analyzed separately.ResultsThe PRS and APOE ε4 were associated with amyloid‐positive ATN profiles, and APOE ε4 additionally with isolated increased tau (A–T+N–). A high PRS and APOE ε4 separately predicted AD dementia. Combined, a high PRS increased while a low PRS attenuated the risk associated with ε4 carriers.DiscussionGenetic variants beyond APOE are clinically relevant and contribute to the pathophysiology of AD. In the future, a PRS might be used in individualized risk profiling.
Dementia with Lewy bodies research consortia: A global perspective from the ISTAART Lewy Body Dementias Professional Interest Area working group
Authors: D'Antonio Fabrizia , Kane Joseph P.M. , Ibañez Agustin , Lewis Simon J.G. , Camicioli Richard , Wang Huali , Yu Yueyi , Zhang Jing , Ji Yong , Borda Miguel Germán , Kandadai Rukmini Mridula , Babiloni Claudio , Bonanni Laura , Ikeda Manabu , Boeve Bradley F. , Leverenz James B. , Aarsland Dag ,   the ISTAART Lewy body dementias Consortia Working Group
Published: September 2021

AbstractDementia with Lewy bodies (DLB) research has seen a significant growth in international collaboration over the last three decades. However, researchers face a challenge in identifying large and diverse samples capable of powering longitudinal studies and clinical trials. The DLB research community has begun to focus efforts on supporting the development and harmonization of consortia, while also continuing to forge networks within which data and findings can be shared. This article describes the current state of DLB research collaborations on each continent. We discuss several established DLB cohorts, many of whom have adopted a common framework, and identify emerging collaborative initiatives that hold the potential to expand DLB networks and diversify research cohorts. Our findings identify geographical areas into which the global DLB networks should seek to expand, and we propose strategies, such as the creation of data‐sharing platforms and the harmonization of protocols, which may further potentiate international collaboration.
Psoriasis medications: The future
Authors: Russo Gerardo J. , Marushchak Olga , Lebwohl Mark G. 
Published: September 2021

AbstractIntroduction: Psoriasis is a chronic inflammatory skin disease characterized by dysregulation of keratinocytes and presenting as sharply demarcated, scaly, erythematous plaques and varying levels of systemic involvement.1‐3 The pathogenesis of the disease is multifactorial and includes immunologic, genetic, and environmental factors.3 Increased understanding of the involved immune‐mediated inflammatory pathways has led to the development of new targeted therapies.3 This review focuses on the safety and efficacy of novel topical, oral, and injectable therapeutic options for treatment of psoriasis.Objectives: The primary objective of this study is to present safety and efficacy data on current and upcoming topical, oral, and biologic therapies for the treatment of psoriasis.Methods: Review of randomized controlled trials on the efficacy and safety of current and upcoming topical, oral, and biologic therapies via an electronic literature search using PubMed, The Cochrane Library, ClinicalTrials.gov, and data presented at AAD VMX 2021.Results: A total of 15 oral, topical or biologic therapies were included and the latest clinical trial safety and efficacy data was presented for the following therapies: tapinarof, roflumilast, tofacitinib, deucravacitinib, baricitinib, abrocitinib, bimekizumab, sonelokimab, secukinumab, risankizumab, guselkumab, ustekinumab, ixekizumab, tildrakizumab, and brodalumab.Conclusion: There are many new and exciting topical, oral and biologic therapies for the treatment of psoriasis. With many novel biologics undergoing clinical trials, providers will have numerous options when deciding which therapy is best for each patient.
The neurobehavioral relationship between executive function and creativity during early childhood
Authors: Wang Jue , Sakata Chifumi , Moriguchi Yusuke 
Published: September 2021

AbstractIncreasing evidence from behavior and neuroimaging research indicates that executive function (EF) is related to creativity. However, most of these studies focused on adult and adolescent populations. The relationship between EF and creativity is unknown when EF undergoes rapid development during early childhood, due to the preschoolers’ marginal skills of expressing their ideas, orally or in writing. Using a nonverbal, open‐ended test, the present study examined whether creative thinking was related to cognitive flexibility in young children. Preschool children (N = 26) performed the Dimensional Change Card Sort (DCCS) and the Unusual Box Test (UBT), while their brain activation was recorded using functional near‐infrared spectroscopy (fNIRS). We did not find any significant correlation between children's cognitive flexibility and creative thinking. However, fNIRS analyses showed that children's brain activation in the lateral prefrontal regions was significantly greater during the test phases of the UBT. Additionally, children who strongly recruited their ventrolateral prefrontal regions during the post‐switch phases of the DCCS recruited the same regions while performing the UBT. Taken together, these findings suggest that children recruit their lateral prefrontal regions when expressing creative thinking, and that such creative thinking could be partially supported by cognitive flexibility in early childhood.