bluuebunny/crossref_metadata_2025_split huggingface dataset:
Self‐Healing Properties of Alkali Metals under “High‐Energy Conditions” in Batteries
Authors: Li Yuqian , Zhang Liyuan , Zhang Jiaheng , Wang Xiuli , Gu Changdong , Xia Xinhui , Tu Jiangping 
Published: April 2021

AbstractWith the development of high‐energy‐density metal batteries, dendrite growth has become a bottleneck for the further improvement of alkali metal electrodes. In this study, the self‐healing performance of dendrites under “high‐energy conditions” are predicted and verified. Initially, the driving force of self‐healing is analyzed based on surface energy. Theoretically, the activation energy for atom diffusion, which contributes to the resistance of self‐healing, is quantitatively calculated. Moreover, to illustrate self‐healing in Li, Na, and K electrodes, electrochemical curves, in situ optical images, and SEM images are obtained at different temperatures and current densities. Based on the results, it is concluded that K dendrites under “high‐energy conditions” (i.e., at high temperatures and high current densities) possess the highest self‐healing ability and reparability. Consequently, the self‐healing properties of alkali metals under high‐energy conditions are theoretically and experimentally examined and confirmed.
Reduced synchrony in alpha oscillations during life predicts post mortem neurofibrillary tangle density in early‐onset and atypical Alzheimer's disease
Authors: Ranasinghe Kamalini G. , Petersen Cathrine , Kudo Kiwamu , Mizuiri Danielle , Rankin Katherine P. , Rabinovici Gil D. , Gorno‐Tempini Maria Luisa , Seeley William W. , Spina Salvatore , Miller Bruce L. , Vossel Keith , Grinberg Lea T. , Nagarajan Srikantan S. 
Published: April 2021

AbstractIntroductionNeurophysiological manifestations selectively associated with amyloid beta and tau depositions in Alzheimer's disease (AD) are useful network biomarkers to identify peptide specific pathological processes. The objective of this study was to validate the associations between reduced neuronal synchrony within alpha oscillations and neurofibrillary tangle (NFT) density in autopsy examination, in patients with AD.MethodsIn a well‐characterized clinicopathological cohort of AD patients (n = 13), we quantified neuronal synchrony within alpha (8–12 Hz) and delta‐theta (2–8 Hz) oscillations, using magnetoencephalography during the disease course, within six selected neocortical and hippocampal regions, including angular gyrus, superior temporal gurus, middle frontal gyrus, primary motor cortex, CA1, and subiculum, and correlated these with regional NFT density quantified at histopathological examination.ResultsAbnormal synchrony in alpha, but not in delta‐theta, significantly predicted the NFT density at post mortem neuropathological examination.DiscussionReduced alpha synchrony is a sensitive neurophysiological index associated with pathological tau, and a potential network biomarker for clinical trials, to gauge the extent of network dysfunction and the degree of rescue in treatments targeting tau pathways in AD.
Self‐Assembly of Single‐Diamond‐Surface Networks
Authors: Sheng Qingqing , Chen Hao , Mao Wenting , Cui Congcong , Che Shunai , Han Lu 
Published: April 2021

AbstractBiological scaffolds with hyperbolic surfaces, especially single gyroid and single‐diamond structures, have sparked immense interest for creating novel materials due to their extraordinary physical properties. However, the ability of nature to create these unbalanced surfaces has not been achieved in either lyotropic liquid crystals or block copolymer phases due to their thermodynamical instability in these systems. Here, we report the synthesis of a porous silica scaffold with a single‐diamond‐surface structure fabricated by self‐assembly of the poly(ethylene oxide)‐b‐polystyrene‐b‐poly(L‐lactide) and silica precursors in a mixed solvent of tetrahydrofuran and water. The single‐diamond structure with tetrahedral interconnected frameworks was revealed by the electron crystallographic reconstruction. We assume that the formation of single networks is induced by the structural transition and related to the energetic change due to the fluctuations of the Gaussian curvature. This work may provide new insights into these biologically relevant surfaces and related self‐assembly systems.
Iridium‐Catalyzed Acid‐Assisted Hydrogenation of Oximes to Hydroxylamines
Authors: Mas‐Roselló Josep , Cope Christopher J. , Tan Eric , Pinson Benjamin , Robinson Alan , Smejkal Tomas , Cramer Nicolai 
Published: April 2021

AbstractWe found that cyclometalated cyclopentadienyl iridium(III) complexes are uniquely efficient catalysts in homogeneous hydrogenation of oximes to hydroxylamine products. A stable iridium C,N‐chelation is crucial, with alkoxy‐substituted aryl ketimine ligands providing the best catalytic performance. Several Ir‐complexes were mapped by X‐ray crystal analysis in order to collect steric parameters that might guide a rational design of even more active catalysts. A broad range of oximes and oxime ethers were activated with stoichiometric amounts of methanesulfonic acid and reduced at room temperature, remarkably without cleavage of the fragile N−O bond. The exquisite functional group compatibility of our hydrogenation system was further demonstrated by additive tests. Experimental mechanistic investigations support an ionic hydrogenation platform, and suggest a role for the Brønsted acid beyond a proton source. Our studies provide deep understanding of this novel acidic hydrogenation and may facilitate its improvement and application to other challenging substrates.
Spinal myoclonus following spinal anaesthesia in a patient with restless legs syndrome
Authors: Sieffien W. , Peng P. , Dinsmore M. 
Published: April 2021

SummaryMyoclonus is defined as involuntary muscle contractions that are self‐limiting. The presentation can be diverse, and severe movements may cause significant alarm to both patient and practitioner, with the potential for inappropriate management. Although rare, myoclonus has been associated with intrathecal anaesthetics; however, the exact aetiology remains unclear. In this report, we present a case of delayed spinal myoclonus following the administration of intrathecal bupivacaine to a patient with a known history of restless legs syndrome. The aim of this report is to increase awareness of this rare complication and to contribute to the current body of literature in order that the pathophysiology and potential risk factors may be better understood.
Bovine serum albumin‐silica functionalized γ‐Fe2O3 nanoparticles (BSA‐Si@Fe2O3): A highly efficient and magnetically recoverable heterogeneous catalyst for the synthesis of substituted pyrrole derivatives
Authors: Siddiqui Shaheen , Rather Ryhan Abdullah , Siddiqui Zeba N. 
Published: April 2021

The present study used silica functionalized bovine serum albumin as a bio‐support for γ‐Fe2O3 nanoparticles (NPs) to synthesize a magnetically recoverable heterogeneous catalyst (BSA‐Si@Fe2O3). The structure of the catalyst was well established by various techniques such as Fourier transform infrared (FT‐IR) spectroscopy, Scanning Electron Microscope/Energy Dispersive X‐ray (SEM/EDX), elemental mapping, Transmission Electron Microscope (TEM), Thermogravimetric (TG), Powder X‐ray diffraction (XRD), X‐ray Photoelectron Spectroscopy (XPS), Brunauer–Emmett–Teller (BET), and Electron Paramagnetic Resonance (EPR) analyses. The catalyst also possesses magnetic properties as shown by Vibrating Sample Magnetometer (VSM). The strong acidic properties of the catalyst was calculated using potentiometric titration showing Ei value in the range of 0 < Ei < 100 mV. The catalyst was found to be highly efficient for the synthesis of pyrroles affording high yield (87%–94%) in short reaction time period under environmentally feasible reaction conditions (high atom economy and low E‐factor). The BSA‐Si@Fe2O3 could be recycled up to six cycles with insignificant loss in catalytic potential.
Study of “coordinative effect” within bi‐blended amine MEA + AMP and MEA + BEA at 0.1 + 2–0.5 + 2 mol/L with absorption–desorption parameter analyses
Authors: Shi Huancong , Feng Hongliang , Yang Xuan , Zou Ting , Tontiwachwuthikul Paitoon , Jiang Linhua 
Published: April 2021

AbstractThe “coordinative effect” was discovered in MEA + DEA bi‐solvents already, and it enhances both CO2 absorption and desorption within MEA + RR'NH simultaneously. A recent study verified strong coordinative effects within MEA + BEA (RR'NH) + AMP tri‐solvents, but whether the coordination was 100% attributed to interaction of MEA + BEA needs to be confirmed. This study investigated the “coordinative effect” separately within MEA + AMP (hindered amine) and MEA + BEA (RR'NH). The CO2 absorption and desorption processes were performed onto MEA + AMP and MEA + BEA (0.1 + 2–0.5 + 2 mol/L) separately. The CO2 absorption–desorption parameters were calculated to evaluate the coordinative effects on a consistent level. Results indicated negligible “coordinative effect” within MEA + AMP but strong coordination within MEA + BEA. Both CO2 absorption and desorption performance of MEA + BEA (0.2 + 2 mol/L) was better than 2.0 mol/L BEA simultaneously. The coordinative effect was optimum within MEA + BEA bi‐solvents at 0.2 + 2 mol/L close to 0.3 + 2 + 2 mol/L of MEA + BEA + AMP tri‐solvents. Based on analysis, carbamate stability and pKa were two main factors that determine negligible–strong coordinative effects between AMP and BEA; different pKa reflected the optimized blending ratios of MEA + DEA (3/7) and MEA + BEA (2/20).
Mitigating combustion instability and NOx emissions with annular oxyfuel jets into the flame shear layer region
Authors: Tao Chengfei , Zhou Hao 
Published: April 2021

AbstractThe shear layer is a region between the internal and external recirculating zone of the flame, which is critical for combustion stabilization and emission. This study experimentally studied the effects of oxyfuel (CO2/O2) shear layer injections on combustion dynamics and pollutant emissions of a model gas turbine combustor. To evaluate the damping performances of ‘Oxy’ CO2/O2 shear layer jets on unsteady combustion and pollutant formation processes, four variables of the CO2/O2 shear layer injection system are studied—the flow rate, the inner diameter, the injection angle and the oxygen ratio. Experimental results show that thermoacoustic instability and NOx emissions can be suppressed with the ‘Oxy’ CO2/O2 shear layer injection method. The minimum inner diameter cases could achieve better control effectiveness of 80%, with the sound pressure amplitude drops from 27 to 5.4 Pa. The maximum inner diameter case could achieve better control effectiveness of 59.2%, with the concentration of NOx emissions drops from 25 to 10.2 ppm. Flame oscillation modes experienced shifting and switching under different shear layer angles and oxygen ratios. There exist extreme points that can be selected for a better control effect. The CO2/O2 shear layer injection splits the inner and outer recirculation zones of the flame. As the oxygen ratio of CO2/O2 varied from 36% to 46%, a flame flapping phenomenon emerged. The ‘Oxy’ CO2/O2 shear layer injection method could eliminate combustion instability and NOx emissions at a relatively lower cost and complexity, which will promote the development of high‐performance burners.
A bifunctional modifier endowing epoxy resin with outstanding flame retardancy and high impact strength
Authors: Han Yichen , Zhao Hui , Chen Lixin , Ran Di , Chen Jichuan , Zhao Jia , Xu Tingting 
Published: April 2021

AbstractThe flammability and brittleness are two major shortages of epoxy resin (EP). Normally, adding flame retardants can deteriorate the mechanical property of EP. Herein, in this work, a reactive flame retardant (DPPO‐TES) containing both Si and P was synthesized and incorporated into EP. When the content of P is only 1.0 wt%, the LOI of the modified EP (DPPO‐TES/EP) reaches to 33.2%, UL‐94 passes V0, THR and pk‐HRR are 377.6 kw/m2 and 103.5 MJ/m2, respectively, which is attributed to the high flame‐retardant efficiency in both condense phase and gas phase. In addition, the flexible SiOSi chains in the structure can significantly improve the impact strength of DPPO‐TES/EP. Therefore, as a bifunctional modifier, DPPO‐TES has a wide application prospect for EP materials.
Shape memory epoxy vitrimers based on waste frying sunflower oil
Authors: Nicolas Simon , Richard Tiphaine , Dourdan Juliette , Lemiègre Loïc , Audic Jean‐Luc 
Published: April 2021

AbstractThermoset polyesters are prepared from epoxidized waste frying sunflower oil (ESO), commercially available epoxy compounds and glutaric acid. Influence of the nature and concentration of bi‐ and trifunctionnal epoxy compounds on mechanical properties is studied. Static and dynamic mechanical tests are performed. The molar amount of commercial epoxy compounds used ranges from 20% to 80% regarding the molar amount of ESO. It enables to obtain thermosetting polyesters with glass transition temperatures ranging from 6°C to 102°C, as well as storage modulus ranging from 8 GPa to 14 GPa. 40% of trifunctional epoxy compound and 60% of commercial epoxy compound are found to be the best compromises between bio‐based content and mechanical properties. Furthermore, shape memory and vitrimer behavior of those epoxy‐acid based networks with 60% of commercial epoxy compounds are evaluated both qualitatively and quantitatively by cyclic thermo‐mechanical and stress relaxation tests. Excellent shape memory behavior with fixity ratios above 94% and recovery ratios above 98% is demonstrated. A transesterification catalyst is needed to obtain good vitrimer behavior. Overall, thanks to the previously mentioned properties of those partially biobased thermosets polyesters, industrial applications such as protective coatings, foams and temperature‐memory polymer actuators might be considered.
Lupus Anticoagulant Single Positivity During the Acute Phase of COVID‐19 Is Not Associated With Venous Thromboembolism or In‐Hospital Mortality
Authors: Gendron Nicolas , Dragon‐Durey Marie‐Agnès , Chocron Richard , Darnige Luc , Jourdi Georges , Philippe Aurélien , Chenevier‐Gobeaux Camille , Hadjadj Jérôme , Duchemin Jérôme , Khider Lina , Yatim Nader , Goudot Guillaume , Krzisch Daphné , Debuc Benjamin , Mauge Laetitia , Levavasseur Françoise , Pene Frédéric , Boussier Jeremy , Sourdeau Elise , Brichet Julie , Ochat Nadège , Goulvestre Claire , Peronino Christophe , Szwebel Tali‐Anne , Pages Franck , Gaussem Pascale , Samama Charles‐Marc , Cheurfa Cherifa , Planquette Benjamin , Sanchez Olivier , Diehl Jean‐Luc , Mirault Tristan , Fontenay Michaela , Terrier Benjamin , Smadja David M. 
Published: April 2021

ObjectiveThe clinical relevance of antiphospholipid antibodies (aPLs) in COVID‐19 is controversial. This study was undertaken to investigate the prevalence and prognostic value of conventional and nonconventional aPLs in patients with COVID‐19.MethodsThis was a multicenter, prospective observational study in a French cohort of patients hospitalized with suspected COVID‐19.ResultsTwo hundred forty‐nine patients were hospitalized with suspected COVID‐19, in whom COVID‐19 was confirmed in 154 and not confirmed in 95. We found a significant increase in lupus anticoagulant (LAC) positivity among patients with COVID‐19 compared to patients without COVID‐19 (60.9% versus 23.7%; P < 0.001), while prevalence of conventional aPLs (IgG and IgM anti–β2‐glycoprotein I and IgG and IgM anticardiolipin isotypes) and nonconventional aPLs (IgA isotype of anticardiolipin, IgA isotype of anti‐β2‐glycoprotein I, IgG and IgM isotypes of anti–phosphatidylserine/prothrombin, and IgG and IgM isotypes of antiprothrombin) was low in both groups. Patients with COVID‐19 who were positive for LAC, as compared to patients with COVID‐19 who were negative for LAC, had higher levels of fibrinogen (median 6.0 gm/liter [interquartile range 5.0–7.0] versus 5.3 gm/liter [interquartile range 4.3–6.4]; P = 0.028) and C‐reactive protein (CRP) (median 115.5 mg/liter [interquartile range 66.0–204.8] versus 91.8 mg/liter [interquartile range 27.0–155.1]; P = 0.019). Univariate analysis did not show any association between LAC positivity and higher risks of venous thromboembolism (VTE) (odds ratio 1.02 [95% confidence interval 0.44–2.43], P = 0.95) or in‐hospital mortality (odds ratio 1.80 [95% confidence interval 0.70–5.05], P = 0.24). With and without adjustment for CRP level, age, and sex, Kaplan‐Meier survival curves according to LAC positivity confirmed the absence of an association with VTE or in‐hospital mortality (unadjusted P = 0.64 and P = 0.26, respectively; adjusted hazard ratio 1.13 [95% confidence interval 0.48–2.60] and 1.80 [95% confidence interval 0.67–5.01], respectively).ConclusionPatients with COVID‐19 have an increased prevalence of LAC positivity associated with biologic markers of inflammation. However, LAC positivity at the time of hospital admission is not associated with VTE risk and/or in‐hospital mortality.
An Atypical Arginine Dihydrolase Involved in the Biosynthesis of Cyclic Hexapeptide Longicatenamides
Authors: Liu Chao , Hashimoto Junko , Kudo Kei , Shin‐ya Kazuo , Kakeya Hideaki 
Published: April 2021

AbstractThe incorporation of non‐proteinogenic amino acids (NPAAs) enriches the structural diversity of nonribosomal peptides. Recently, four NPAA‐containing cyclic hexapeptides, longicatenamides A−D, were isolated using a combined‐culture strategy. Based on in silico analysis, we discovered their putative biosynthetic gene cluster (lon) and proposed a possible biosynthetic mechanism. Surprisingly, the lon22 gene encodes an atypical arginine dihydrolase, which can also catalyze the hydrolysis of citrulline to ornithine. Phylogenetic analysis showed that Lon22‐like proteins form a novel clade that is separated from other guanidine‐modifying enzymes. After rational design, the catalytic efficiencies of a Lon22 Y80F mutant for arginine and citrulline substrates were 2.31‐ and 4.70‐fold that of the wild‐type (WT), respectively. In addition, characterization of the Lon20‐A4 adenylation domain suggested that it can incorporate both ornithine and lysine into the final products.
The nature of fair trade exchanges and their outcomes: Producer voices in Vietnam and India
Authors: Salignac Fanny , Bhatia Bhanu , Tallontire Anne 
Published: April 2021

AbstractThis paper brings insights to Fair Trade exchanges by casting commodities beyond material and pecuniary gains to include interpersonal relations. Although numerous studies have highlighted that Fair Trade brings benefits beyond the economic, the process through which ‘material things’ may become imbued with non‐pecuniary value remains under‐explored. Our analysis of interviews with Fairtrade certified smallholder farmers in Vietnam and in India provides insight into the discursive constructs of their participation in Fair Trade exchanges. Social exchange theory enables us to reconceptualise exchanges in the Fairtrade market to take into account interpersonal processes and long‐term relations of exchange between actors. We find that Fair Trade is associated with benefits to both community and individuals and that these are intertwined and linked to participation in a democratic process in the cooperative. The pecuniary and non‐pecuniary value generated and sustained by farmer democratic organizations needs to be recognised by Fairtrade importing businesses.
Process Modeling, Identification Methods, and Control Schemes for Nonlinear Physical Systems – A Comprehensive Review
Authors: Xavier Joanofarc , Patnaik S. K. , Panda Rames C. 
Published: April 2021

AbstractA state‐of‐the‐art review on various identification schemes proposed for the Hammerstein, Wiener, and Volterra systems is presented with respect to the special problems arising in the identification of unknown nonlinear systems. Past and recent developments in the field of nonlinear system identification, parameter estimation, and nonlinear control schemes along with the nonlinearity issues are also deeply investigated. A comprehensive analysis on various parameter estimation approaches and nonlinear control laws are made adding credit to the noteworthy contributions, constructive arguments, and remarkable breakthroughs of researchers in various research fields. The application of most popular nonlinear control strategies for many nonlinear systems in the existing literature are presented spotlighting their merits and major shortcomings. The challenges faced in the nonlinear control field and their emergences to future directions are projected.
Effect of Si/Al Ratio in the Faujasite Structure on Adsorption of Methane and Nitrogen: A Molecular Dynamics Study
Authors: Moradi Hojatollah , Azizpour Hedayat , Bahmanyar Hossein , Rezamandi Nariman , Zahedi Payam 
Published: April 2021

AbstractAdsorption of methane and nitrogen, in pure and mixture states, on faujasite (FAU) zeolite was investigated by molecular dynamics (MD) simulation. FAU zeolite with Si/Al ratios of 1, 2, and 3 was tested to evaluate the effect of changes in the zeolite structure. Adsorption isotherms of methane and nitrogen were derived using MD simulation with COMPASS force field at various temperatures and pressures and the results were compared with experimental data. Methane/nitrogen selectivity was calculated to analyze the separation performance of FAU zeolite. Under all tested conditions, the calculated selectivities were higher than 2, which was in the acceptable range for separation. Diffusivity of the gases in the zeolite structure was assessed using mean square displacement analysis. The results demonstrated that a lower Si/Al ratio in the FAU structure yield higher methane adsorption.
Fundamental Characterization, Photophysics and Photocatalysis of a Base Metal Iron(II)‐Cobalt(III) Dyad
Authors: Huber‐Gedert Marina , Nowakowski Michał , Kertmen Ahmet , Burkhardt Lukas , Lindner Natalia , Schoch Roland , Herbst‐Irmer Regine , Neuba Adam , Schmitz Lennart , Choi Tae‐Kyu , Kubicki Jacek , Gawelda Wojciech , Bauer Matthias 
Published: April 2021

AbstractA new base metal iron‐cobalt dyad has been obtained by connection between a heteroleptic tetra‐NHC iron(II) photosensitizer combining a 2,6‐bis[3‐(2,6‐diisopropylphenyl)imidazol‐2‐ylidene]pyridine with 2,6‐bis(3‐methyl‐imidazol‐2‐ylidene)‐4,4′‐bipyridine ligand, and a cobaloxime catalyst. This novel iron(II)‐cobalt(III) assembly has been extensively characterized by ground‐ and excited‐state methods like X‐ray crystallography, X‐ray absorption spectroscopy, (spectro‐)electrochemistry, and steady‐state and time‐resolved optical absorption spectroscopy, with a particular focus on the stability of the molecular assembly in solution and determination of the excited‐state landscape. NMR and UV/Vis spectroscopy reveal dissociation of the dyad in acetonitrile at concentrations below 1 mM and high photostability. Transient absorption spectroscopy after excitation into the metal‐to‐ligand charge transfer absorption band suggests a relaxation cascade originating from hot singlet and triplet MLCT states, leading to the population of the 3MLCT state that exhibits the longest lifetime. Finally, decay into the ground state involves a 3MC state. Attachment of cobaloxime to the iron photosensitizer increases the 3MLCT lifetime at the iron centre. Together with the directing effect of the linker, this potentially makes the dyad more active in photocatalytic proton reduction experiments than the analogous two‐component system, consisting of the iron photosensitizer and Co(dmgH)2(py)Cl. This work thus sheds new light on the functionality of base metal dyads, which are important for more efficient and sustainable future proton reduction systems.