bluuebunny/crossref_metadata_2025_split huggingface dataset:
In Situ Grown Tungsten Trioxide Nanoparticles on Graphene Oxide Nanosheet to Regulate Ion Selectivity of Membrane for High Performance Vanadium Redox Flow Battery
Authors: Ye Jiaye , Zheng Chunhua , Liu Jie , Sun Tianfu , Yu Shuhui , Li Huiyun 
Published: November 2021

AbstractThe application of vanadium redox flow batteries (VRFBs) has encountered challenges because the most commonly used commercial membrane (perfluorinated sulfonic acid, PFSA) has severe vanadium ion permeation, which yields poor stability of the battery. Herein, a PFSA‐based hybrid membrane with a sandwich structure created using a reinforced polytetrafluoroethylene thin layer with hydrophilic nanohybrid fillers is developed. The tungsten trioxide (WO3) nanoparticles are in situ grown on the surface of graphene oxide (GO) nanosheets to overcome the electrostatic effect, and to enhance the hydrophilicity and dispersibility of GO nanosheets, which is embedded in the PFSA matrix to act as a “barrier” to reduce vanadium ions permeation. In addition, these hydrophilic WO3 nanoparticles on GO nanosheets surface serve as proton active sites to facilitate proton transportation. As a result, at 120 cm−2, the cell of the hybrid membrane displays high Coulombic efficiency (over 98.1%) and high energy efficiency (up to 88.9%), better than the commercial Nafion 212 membrane at the same condition. These performances indicate the proposed hybrid membrane is applicable for VRFB application. Also, this design method of the membrane can be extended to other fields including water treatments and fuel cells.
Integrative metabolomics‐genomics approach reveals key metabolic pathways and regulators of Alzheimer's disease
Authors: Horgusluoglu Emrin , Neff Ryan , Song Won‐Min , Wang Minghui , Wang Qian , Arnold Matthias , Krumsiek Jan , Galindo‐Prieto Beatriz , Ming Chen , Nho Kwangsik , Kastenmüller Gabi , Han Xianlin , Baillie Rebecca , Zeng Qi , Andrews Shea , Cheng Haoxiang , Hao Ke , Goate Alison , Bennett David A. , Saykin Andrew J. , Kaddurah‐Daouk Rima , Zhang Bin ,   for the Alzheimer's Disease Neuroimaging Initiative (ADNI),   the Alzheimer Disease Metabolomics Consortium
Published: November 2021

AbstractMetabolites, the biochemical products of the cellular process, can be used to measure alterations in biochemical pathways related to the pathogenesis of Alzheimer's disease (AD). However, the relationships between systemic abnormalities in metabolism and the pathogenesis of AD are poorly understood. In this study, we aim to identify AD‐specific metabolomic changes and their potential upstream genetic and transcriptional regulators through an integrative systems biology framework for analyzing genetic, transcriptomic, metabolomic, and proteomic data in AD. Metabolite co‐expression network analysis of the blood metabolomic data in the Alzheimer's Disease Neuroimaging Initiative (ADNI) shows short‐chain acylcarnitines/amino acids and medium/long‐chain acylcarnitines are most associated with AD clinical outcomes, including episodic memory scores and disease severity. Integration of the gene expression data in both the blood from the ADNI and the brain from the Accelerating Medicines Partnership Alzheimer's Disease (AMP‐AD) program reveals ABCA1 and CPT1A are involved in the regulation of acylcarnitines and amino acids in AD. Gene co‐expression network analysis of the AMP‐AD brain RNA‐seq data suggests the CPT1A‐ and ABCA1‐centered subnetworks are associated with neuronal system and immune response, respectively. Increased ABCA1 gene expression and adiponectin protein, a regulator of ABCA1, correspond to decreased short‐chain acylcarnitines and amines in AD in the ADNI. In summary, our integrated analysis of large‐scale multiomics data in AD systematically identifies novel metabolites and their potential regulators in AD and the findings pave a way for not only developing sensitive and specific diagnostic biomarkers for AD but also identifying novel molecular mechanisms of AD pathogenesis.
Odd‐Fold Darboux Transformation, Breather, Rogue‐Wave and Semirational Solutions on the Periodic Background for a Variable‐Coefficient Derivative Nonlinear Schrödinger Equation in an Inhomogeneous Plasma
Authors: Chen Su‐Su , Tian Bo , Zhang Chen‐Rong 
Published: November 2021

AbstractPlasmas are believed to be possibly the most abundant form of visible matter in the Universe. Investigation in this paper is given to a variable‐coefficient derivative nonlinear Schrödinger equation describing the nonlinear Alfvén waves in an inhomogeneous plasma. With respect to the left polarized Alfvén wave, the odd‐fold Darboux transformation, breather, rogue‐wave and semirational solutions are constructed on the periodic background. Conditions for the antidark/gray/black soliton solutions or periodic solutions are obtained. Period of the Akhmediev breather is independent of the dispersion coefficient. When such an equation has a constant dispersion, with the increasing value of the dispersion coefficient, quasi‐period of the Kuznetsov–Ma breather decreases, quasi‐periods of the spatio‐temporal breathers along the ξ and τ axes both decrease and range of the rogue wave along the τ axis decreases, where ξ and τ are the stretched time and space variables, respectively. When such an equation has a τ‐dependent linear dispersion, with the increasing value of , quasi‐period of the Kuznetsov–Ma breather decreases and quasi‐periods of the spatio‐temporal breathers along the ξ and τ axes both decrease. When such an equation has a constant loss/gain, linearly periodic background is exhibited. When such an equation has a τ‐dependent linear loss/gain, parabolic–periodic background is shown.
Configurational Lability at Tetrahedral Phosphorus: syn/anti‐Isomerization of a P‐Stereogenic Phosphiranium Cation by Intramolecular Epimerization at Phosphorus
Authors: Tipker Ryan M. , Muldoon Jake A. , Pham Daniel H. , Varga Balazs R. , Hughes Russell P. , Glueck David S. , Balaich Gary J. , Rheingold Arnold L. 
Published: November 2021

AbstractTetrahedral main‐group compounds are normally configurationally stable, but P‐epimerization of the chiral phosphiranium cations syn‐ or anti‐[Mes*P(Me)CH2CHPh][OTf] (Mes*=2,4,6‐(t‐Bu)3C6H2) occurred under mild conditions at 60 °C in CD2Cl2, resulting in isomerization to give a syn‐enriched equilibrium mixture. Ion exchange with excess [NBu4][Δ‐TRISPHAT] (Δ‐TRISPHAT=Δ‐P(o‐C6Cl4O2)3) followed by chromatography on silica removed [NBu4][OTf] and gave mixtures of syn‐ and anti‐[Mes*P(Me)CH2CHPh][Δ‐TRISPHAT]⋅x[NBu4][Δ‐TRISPHAT]. NMR spectroscopy showed that isomerization proceeded with epimerization at P and retention at C. DFT calculations are consistent with a mechanism involving P‐C cleavage to yield a hyperconjugation‐stabilized carbocation, pyramidal inversion promoted by σ‐interaction of the P lone pair with the neighboring β‐carbocation, and ring closure with inversion of configuration at P.
Modular Two‐Step Access to π‐Extended Naphthyridine Systems—Potent Building Blocks for Organic Electronics
Authors: Stuck Fabian , Dietl Martin C. , Meißner Maximilian , Sebastian Finn , Rudolph Matthias , Rominger Frank , Krämer Petra , Hashmi A. Stephen K. 
Published: November 2021

AbstractEfficient synthetic approaches for the incorporation of nitrogen into polyaromatic compounds (PACs) in different patterns as stabilising moiety for π‐extended systems and modification tool for optoelectronic properties remain a challenge until today. Herein, we developed a new versatile pathway to napthyridine‐based PACs as non‐symmetric and regioisomeric pendant to pyrazine‐based PACs. A combination of a gold‐catalysed synthesis of 2‐aminoquinolines and the development of an in situ desulfonation and condensation of these precursors are the key steps of the protocol. The shape and type of attached functional groups of the PACs can be designed in a late stage of the overall synthetic procedure by the chosen anthranile and backbone of the ynamide introduced in the gold‐catalysed step. Single‐crystal X‐ray diffraction and the investigation of electronic properties of the compounds show the influence of the attached substituents. All naphthyridine‐based PACs show halochromic behaviour implying their use as highly sensitive proton sensor in non‐protic solvents.
Structure‐function analysis of two closely related cutinases from Thermobifida cellulosilytica
Authors: Arnling Bååth Jenny , Novy Vera , Carneiro Leonor V. , Guebitz Georg M. , Olsson Lisbeth , Westh Peter , Ribitsch Doris 
Published: November 2021

AbstractCutinases can play a significant role in a biotechnology‐based circular economy. However, relatively little is known about the structure–function relationship of these enzymes, knowledge that is vital to advance optimized, engineered enzyme candidates. Here, two almost identical cutinases from Thermobifida cellulosilytica DSM44535 (Thc_Cut1 and Thc_Cut2) with only 18 amino acids difference were used for a rigorous biochemical characterization of their ability to hydrolyze poly(ethylene terephthalate) (PET), PET‐model substrates, and cutin‐model substrates. Kinetic parameters were compared with detailed in silico docking studies of enzyme‐ligand interactions. The two enzymes interacted with, and hydrolyzed PET differently, with Thc_Cut1 generating smaller PET‐degradation products. Thc_Cut1 also showed higher catalytic efficiency on long‐chain aliphatic substrates, an effect likely caused by small changes in the binding architecture. Thc_Cut2, in contrast, showed improved binding and catalytic efficiency when approaching the glass transition temperature of PET, an effect likely caused by longer amino acid residues in one area at the enzyme's surface. Finally, the position of the single residue Q93 close to the active site, rotated out in Thc_Cut2, influenced the ligand position of a trimeric PET‐model substrate. In conclusion, we illustrate that even minor sequence differences in cutinases can affect their substrate binding, substrate specificity, and catalytic efficiency drastically.
A novel animation authoring framework for the virtual teacher performing experiment in mixed reality
Authors: Zhang Zhenning , Wu Yihe , Pan Zhigeng , Li Weiqing , Su Zhiyong 
Published: November 2021

AbstractVirtual teachers embedded into reality enable the transfer of skills and knowledge to students by demonstration. However, authoring the animation of virtual characters aligned with real environments is difficult for educators. In this study, a novel animation authoring framework for demonstration teaching is proposed based on human–computer interaction and intelligent algorithm, and its application is demonstrated in mixed reality experimental education. We developed a simulation experiment environment; users could operate equipment using gestures by a Leap Motion controller. The interaction trajectory can be adaptively adjusted by the dynamic motion primitives algorithm to generate a virtual teacher demonstration trajectory aligned with real environments. For the details of the virtual teacher animation, the deep reinforcement learning algorithm performed the adaptive grabbing for objects of different shapes and sizes. Our experimental results showed that the framework is easy to use; users are able to easily author a natural animation of a virtual teacher performing a chemical experiment aligned with real environments. Also, the user feedback showed that the virtual teacher's demonstration animation in MR is impressive, and students can learn from the animation by observation and imitation.
5 key strategies lessen regulatory hurdles for international students
Authors: Sanford Amy Aldridge , Raj Rishi 
Published: November 2021

A little more than 1 million students with international student or scholar visas are currently enrolled in institutions of higher education in the United States, making up nearly 6% of all postsecondary enrollment within the country. NAFSA, the world's largest professional association dedicated to international education, reported that in 2019–2020 alone international students contributed $38.7 billion to the U.S. economy (read more at https://bit.ly/3AfNCla).
Binding Methylarginines and Methyllysines as Free Amino Acids: A Comparative Study of Multiple Host Classes**
Authors: Warmerdam Zoey , Kamba Bianca E. , Le My‐Hue , Schrader Thomas , Isaacs Lyle , Bayer Peter , Hof Fraser 
Published: November 2021

AbstractMethylated free amino acids are an important class of targets for host‐guest chemistry that have recognition properties distinct from those of methylated peptides and proteins. We present comparative binding studies for three different host classes that are each studied with multiple methylated arginines and lysines to determine fundamental structure‐function relationships. The hosts studied are all anionic and include three calixarenes, two acyclic cucurbiturils, and two other cleft‐like hosts, a clip and a tweezer. We determined the binding association constants for a panel of methylated amino acids using indicator displacement assays. The acyclic cucurbiturils display stronger binding to the methylated amino acids, and some unique patterns of selectivity. The two other cleft‐like hosts follow two different trends, shallow host (clip) following similar trends to the calixarenes, and the other more closed host (tweezer) binding certain less‐methylated amino acids stronger than their methylated counterparts. Molecular modelling sheds some light on the different preferences of the various hosts. The results identify hosts with new selectivities and with affinities in a range that could be useful for biomedical applications. The overall selectivity patterns are explained by a common framework that considers the geometry, depth of binding pockets, and functional group participation across all host classes.
Highly Efficient Ir(III)‐Coumarin Photo‐Redox Catalyst for Synergetic Multi‐Mode Cancer Photo‐Therapy
Authors: Fan Zhongxian , Xie Jiaen , Sadhukhan Tumpa , Liang Chao , Huang Can , Li Wenqing , Li Tingxuan , Zhang Pingyu , Banerjee Samya , Raghavachari Krishnan , Huang Huaiyi 
Published: November 2021

AbstractFour photo‐catalysts of the general formula [Ir(CO6/ppy)2(L)]Cl where CO6=coumarin 6 (Ir1–Ir3), ppy=2‐phenylpyridine (Ir4), L=4′‐(3,5‐di‐tert‐butylphenyl)‐2,2′ : 6′,2′′‐terpyridine (Ir1), 4′‐(3,5‐bis(trifluoromethyl)phenyl)‐2,2′ : 6′,2′′‐terpyridine (Ir2andIr4), and 4‐([2,2′ : 6′,2′′‐terpyridin]‐4′‐yl)‐N,N‐dimethylaniline (Ir3) were synthesized and characterized. These photostable photo‐catalysts (Ir1–Ir3) showed strong visible light absorption between 400–550 nm. Upon light irradiation (465 and 525 nm),Ir1–Ir3generated singlet oxygen and induced rapidly photo‐catalytic oxidation of cellular coenzymes NAD(P)H.Ir1–Ir3showed time‐dependent cellular uptake with excellent intracellular retention efficiency. Upon green light irradiation (525 nm),Ir2provided a much higher photo‐index (PI=793) than the clinically used photosensitizer, 5‐aminolevulinicacid (5‐ALA, PI>30) against HeLa cancer cells. The observed necro‐apoptotic anticancer activity ofIr2was due to theIr2triggered photo‐induced intracellular redox imbalance (by NAD(P)H oxidation and ROS generation) and change in the mitochondrial membrane potential. Remarkably,Ir2showed in vivo photo‐induced catalytic anticancer activity in mouse models.
Solvothermal Synthesis of [Cr7S8(en)8Cl2]Cl3 ⋅ 2H2O with Magnetically Frustrated [Cr7S8]5+ Double‐Cubes**
Authors: Gamage Eranga H. , Clark Judith K. , Yazback Maher , Cheng Hai‐Ping , Shatruk Michael , Kovnir Kirill 
Published: November 2021

AbstractA novel transition metal chalcohalide [Cr7S8(en)8Cl2]Cl3 ⋅ 2H2O, with [Cr7S8]5+ dicubane cationic clusters, has been synthesized by a low temperature solvothermal method, using dimethyl sulfoxide (DMSO) and ethylenediamine (en) solvents. Ethylenediamine ligand exhibits bi‐ and monodentate coordination modes; in the latter case ethylenediamine coordinates to Cr atoms of adjacent clusters, giving rise to a 2D polymeric structure. Although magnetic susceptibility shows no magnetic ordering down to 1.8 K, a highly negative Weiss constant, θ=−224(2) K, obtained from Curie‐Weiss fit of inverse susceptibility, suggests strong antiferromagnetic (AFM) interactions between S=3/2 Cr(III) centers. Due to the complexity of the system with (2S+1)7=16384 microstates from seven Cr3+ centers, a simplified model with only two exchange constants was used for simulations. Density‐functional theory (DFT) calculations yielded the two exchange constants to be J1=−21.4 cm−1 and J2=−30.2 cm−1, confirming competing AFM coupling between the shared Cr3+ center and the peripheral Cr3+ ions of the dicubane cluster. The best simulation of the experimental data was obtained with J1=−20.0 cm−1 and J2=−21.0 cm−1, in agreement with the slightly stronger AFM exchange within the triangles of the peripheral Cr3+ ions as compared to the AFM exchange between the central and peripheral Cr3+ ions. This compound is proposed as a synthon towards magnetically frustrated systems assembled by linking dicubane transition metal‐chalcogenide clusters into polymeric networks.
PROTOCOL: Effectiveness of nutrition counselling for pregnant women in low‐ and middle‐income countries to improve maternal, infant and child behavioural, nutritional and health outcomes: A systematic review
Authors: Dewidar Omar , Saad Ammar , Baqar Aqeel , John Jessica C. , Riddle Alison , Ota Erika , Kung'u Jacqueline K. , Arabi Mandana , Raut Manoj K. , Klobodu Seth S. , Rowe Sarah , Busch‐Hallen Jennifer , Jalal Chowdhury S. B. , Wuehler Sara , Welch Vivian 
Published: November 2021

AbstractThe objective of this systematic review is to identify, appraise and synthesise the best available evidence on the effectiveness of nutritional counselling and education interventions on maternal, infant and child health outcomes, and assess the differences in effects across participants' PROGRESS+ characteristics. To achieve these objectives, we will aim to answer the following research questions: What is the effectiveness of nutrition counselling interventions for pregnant women in low‐ or middle‐income countries on maternal, infant and child health outcomes? What are the impacts of nutrition counselling interventions on maternal, infant and child health outcomes across participants' PROGRESS+ characteristics?
Low‐ and moderate‐severity fire offers key insights for landscape restoration in ponderosa pine forests
Authors: Cannon Jeffery B. , Warnick Katarina J. , Elliott Spencer , Briggs Jennifer S. 
Published: November 2021

AbstractRestoration goals in fire‐prone conifer forests include mitigating fire hazard while restoring forest structural components linked to disturbance resilience and ecological function. Restoration of overstory spatial pattern in forests often falls short of management objectives due to complexities in implementation, regulation, and available data. When historical data is available, it is often collected at plots too small to inform coarse‐scale metrics like gap size and structure of tree patches (e.g., 1 ha). Principles of ecological forestry typically emphasize overstory removal patterns that emulate those of natural disturbances. So, low‐ and moderate‐severity portions of contemporary wildfires may serve as a guide to restoration treatments where mixed‐severity fires occur. Here, we compare forest spatial pattern and configuration in 15 mechanical restoration treatments and low‐ and moderate‐severity portions of three wildfires in ponderosa pine‐dominated forests to determine how they differ in spatial pattern. We obtained satellite imagery of restoration treatments and wildfires and used supervised classification to differentiate canopy and openings. We assessed elements of landscape structure including canopy and gap cover, gap attributes, and landscape heterogeneity for each disturbance type. We found that both mechanical restoration treatments and low‐ and moderate‐severity portions of wildfires reduced forest cover, increased gap cover, and altered pattern and arrangement of gaps relative to undisturbed areas, though the magnitude of changes were greatest in the burned sites. Low‐ and moderate‐severity wildfire consistently increased landscape heterogeneity, but mechanical treatments did not. This suggests that a greater emphasis on increasing gap and patch spatial structure may make mechanical treatments more congruent with natural disturbances. Outcomes of low‐ and moderate‐severity portions of wildfires may provide important information upon which to base management prescriptions where reference data on landscape patterns is unavailable.
Validation of a test meal paradigm to experimentally manipulate meal‐related fears: A registered report
Authors: Forney K. Jean , Jo Jenny H. , Pucci Gabriella , France Christopher R. 
Published: November 2021

AbstractFear is central to conceptualizations of weight and shape‐focused eating disorders. The current study will examine the reliability and validity of a test meal paradigm that varies perceptions of fat content to manipulate fear. Undergraduate women with elevated eating pathology (N = 96) will be randomized to one of three test meal conditions: two “low” fat yogurts, two “high” fat yogurts, or one “high” fat and one “low” fat yogurt. In actuality, all yogurts will have the same fat content. Supporting reliability, we hypothesize that self‐reported fear and electrodermal activity (psychophysiological index of fear‐related arousal) will exhibit good test–retest reliability over a 48‐hr period in the “high” fat/“high” fat and “low” fat/“low” fat conditions. Supporting construct validity, self‐reported fear and electrodermal activity will be elevated during the “high” versus “low” fat condition and responses to the “high" fat condition will correlate with fear of food, eating, and weight gain. Supporting discriminant validity, self‐reported disgust and anger will be comparable in the “high” and “low” fat conditions and will exhibit weak correlations with trait measures of disgust and anger. This experimental paradigm will allow researchers to manipulate fear in order understand the mechanisms by which fear maintains eating pathology.
Beyond BACI: Offsetting carcass numbers with flight intensity to improve risk assessments of bird collisions with power lines
Authors: Mercker Moritz , Jödicke Klaus 
Published: November 2021

Abstract

The continuing global expansion of electricity networks increases the risk of bird collisions with power lines. Several field studies have demonstrated that this risk can be reduced by marking lines with flight diverters. A before‐after control‐impact (BACI) design is currently the suggested approach for evaluating the effectiveness of these diverters and is generally assumed to give unbiased results.

Using systematic flight survey data, we demonstrate that the assumptions underlying the BACI approach are frequently violated, leading to biased effectiveness estimates. We present an alternative field and statistical design in which the number of bird strike victims is directly related to bird flight intensity (“fusion design”), instead of estimating it indirectly using a control site. The presented design is validated based on simulations.

We demonstrate that the presented method is unbiased and shows an approximately 3‐fold higher statistical power compared with BACI, even under ideal/unbiased data conditions, with similar field‐experimental effort. Moreover, this approach can provide a direct analysis of bird reactions/collisions, estimation of collision rates, and the possibility of conducting the required fieldwork within a single season.

Our presented method can be used to standardize and improve future studies on diverter effectiveness, for example, by supporting the acquisition of a more detailed picture of species‐, diverter type‐, and habitat‐specific estimates.