bluuebunny/crossref_metadata_2025_split huggingface dataset:
Critical Roles of Mechanical Properties of Solid Electrolyte Interphase for Potassium Metal Anodes
Authors: Gao Yao , Hou Zhen , Zhou Rui , Wang Danni , Guo Xuyun , Zhu Ye , Zhang Biao 
Published: January 2022

AbstractThe mechanical properties of the solid electrolyte interphase (SEI) have attracted increasing attention, but their importance in guiding electrolyte design remains ambiguous. Here it is revealed that, despite a decrease in ionic conductivity for both electrolyte and SEI, exceptional cycling performance of K‐metal batteries is achieved in a low concentration carbonate electrolyte by optimizing the mechanical stability of the SEI. The SEI formed in the studied carbonate electrolytes is predominantly organic. Its inorganic content increases with increasing electrolyte concentration and corresponds to an increase in Young's modulus (E) and ionic conductivity of SEI and a decrease in elastic strain limit (εY). The maximum elastic deformation energy combines effects of E and εY, achieving a maximum in 0.5 m electrolyte. Finite element simulations indicate that SEI with low either E or εY inevitably triggers dendrite growth. These findings foreshadow an increased focus on the mechanical properties of the SEI, where low concentrations of carbonate electrolytes display merit.
Strain Switching in van der Waals Heterostructures Triggered by a Spin‐Crossover Metal–Organic Framework
Authors: Boix‐Constant Carla , García‐López Víctor , Navarro‐Moratalla Efrén , Clemente‐León Miguel , Zafra José Luis , Casado Juan , Guinea Francisco , Mañas‐Valero Samuel , Coronado Eugenio 
Published: January 2022

AbstractVan der Waals heterostructures (vdWHs) provide the possibility of engineering new materials with emergent functionalities that are not accessible in another way. These heterostructures are formed by assembling layers of different materials used as building blocks. Beyond inorganic 2D crystals, layered molecular materials remain still rather unexplored, with only few examples regarding their isolation as atomically thin layers. Here, the family of van der Waals heterostructures is enlarged by introducing a molecular building block able to produce strain: the so‐called spin‐crossover (SCO). In these metal–organic materials, a spin transition can be induced by applying external stimuli like light, temperature, pressure, or an electric field. In particular, smart vdWHs are prepared in which the electronic and optical properties of the 2D material (graphene and WSe2) are clearly switched by the strain concomitant to the spin transition. These molecular/inorganic vdWHs represent the deterministic incorporation of bistable molecular layers with other 2D crystals of interest in the emergent fields of straintronics and band engineering in low‐dimensional materials.
Construction of Ag‐Bridged Z‐Scheme LaFe0.5Co0.5O3/Ag10/Graphitic Carbon Nitride Heterojunctions for Photo‐Fenton Degradation of Tetracycline Hydrochloride: Interfacial Electron Effect and Reaction Mechanism
Authors: Xu Xuelian , Lin Hao , Xiao Ping , Zhu Junjiang , Bi Huiting , Carabineiro Sónia A. C. 
Published: January 2022

AbstractImprovements on spectral absorption range and electron–hole (e−/h+) separation efficiency are crucial to effectively design materials for photocatalysis. To reach this objective, ternary Z‐scheme LaFe0.5Co0.5O3/Ag10/graphitic carbon nitride (LFCO/Ag10/g‐CN) heterojunctions with layered structure are designed. The obtained results show that: 1) the Ag nanoparticles (NPs) act as bridges to link LFCO and g‐CN, providing a place for recombination of useless electrons and holes; 2) some of the Ag atoms enter the LFCO lattice as Ag+, but most of them are at the surface in the form of Ag NPs, while g‐CN coats the surface of LFCO/Ag10 as a thin film; 3) LFCO/Ag10/g‐CN exhibits improved e−/h+ separation efficiency, electron transfer rate, and photocurrent response, compared to g‐CN and LFCO/Ag10 alone. Catalytic tests show that LFCO/Ag10/g‐CN is active for photo‐Fenton degradation of tetracycline hydrochloride (TC), with 87% TC conversion obtained at 40 min. Mechanistic studies show that •O2− and •OH radicals are the reactive species of the reaction, and a synergistic effect between light and H2O2 is produced by generating extra •OH radicals. LFCO/Ag10/g‐CN is also highly stable in the reaction conditions, with no appreciable activity loss up to four reuse cycles.
Iron(III) Chloride Mediated para‐Selective C‐H Functionalization: Access to C5‐Chloro and C5,C7‐Dichloro/Dianisyl Substituted 2‐Arylbenzoxazoles
Authors: Sahoo Kanchanbala , Panda Niranjan 
Published: January 2022

AbstractIron(III) chloride mediated para‐selective C−H chlorination and subsequent annulation of 2‐amidophenol to synthesize C5‐ and C5, C7‐chlorinated benzoxazoles was developed. Further, the oxidative cross‐dehydrogenative coupling of amidophenol with anisole by ferric chloride was explored to achieve the remotely anisylated benzoxazoles.magnified image
Pseudomonas aeruginosa Biofilm Dispersion by the Human Atrial Natriuretic Peptide
Authors: Louis Mélissande , Clamens Thomas , Tahrioui Ali , Desriac Florie , Rodrigues Sophie , Rosay Thibaut , Harmer Nicholas , Diaz Suraya , Barreau Magalie , Racine Pierre‐Jean , Kipnis Eric , Grandjean Teddy , Vieillard Julien , Bouffartigues Emeline , Cornelis Pierre , Chevalier Sylvie , Feuilloley Marc G. J. , Lesouhaitier Olivier 
Published: January 2022

AbstractPseudomonas aeruginosa biofilms cause chronic, antibiotic tolerant infections in wounds and lungs. Numerous recent studies demonstrate that bacteria can detect human communication compounds through specific sensor/receptor tools that modulate bacterial physiology. Consequently, interfering with these mechanisms offers an exciting opportunity to directly affect the infection process. It is shown that the human hormone Atrial Natriuretic Peptide (hANP) both prevents the formation of P. aeruginosa biofilms and strongly disperses established P. aeruginosa biofilms. This hANP action is dose‐dependent with a strong effect at low nanomolar concentrations and takes effect in 30–120 min. Furthermore, although hANP has no antimicrobial effect, it acts as an antibiotic adjuvant. hANP enhances the antibiofilm action of antibiotics with diverse modes of action, allowing almost full biofilm eradication. The hANP effect requires the presence of the P. aeruginosa sensor AmiC and the AmiR antiterminator regulator, indicating a specific mode of action. These data establish the activation of the ami pathway as a potential mechanism for P. aeruginosa biofilm dispersion. hANP appears to be devoid of toxicity, does not enhance bacterial pathogenicity, and acts synergistically with antibiotics. These data show that hANP is a promising powerful antibiofilm weapon against established P. aeruginosa biofilms in chronic infections.
The TFAMoplex—Conversion of the Mitochondrial Transcription Factor A into a DNA Transfection Agent
Authors: Burger Michael , Kaelin Seraina , Leroux Jean‐Christophe 
Published: January 2022

AbstractNon‐viral gene delivery agents, such as cationic lipids, polymers, and peptides, mainly rely on charge‐based and hydrophobic interactions for the condensation of DNA molecules into nanoparticles. The human protein mitochondrial transcription factor A (TFAM), on the other hand, has evolved to form nanoparticles with DNA through highly specific protein‐protein and protein‐DNA interactions. Here, the properties of TFAM are repurposed to create a DNA transfection agent by means of protein engineering. TFAM is covalently fused to Listeria monocytogenes phospholipase C (PLC), an enzyme that lyses lipid membranes under acidic conditions, to enable endosomal escape and human vaccinia‐related kinase 1 (VRK1), which is intended to protect the DNA from cytoplasmic defense mechanisms. The TFAM/DNA complexes (TFAMoplexes) are stabilized by cysteine point mutations introduced rationally in the TFAM homodimerization site, resulting in particles, which show maximal activity when formed in 80% serum and transfect HeLa cells in vitro after 30 min of incubation under challenging cell culture conditions. The herein developed TFAM‐based DNA scaffolds combine interesting characteristics in an easy‐to‐use system and can be readily expanded with further protein factors. This makes the TFAMoplex a promising tool in protein‐based gene delivery.
Visualizing Nucleation and Growth Process of Vanadium‐Supramolecular Nanoribbons Self‐Assembled by Rapid Cooling Method towards High‐Capacity Vanadium Nitride Anode Materials
Authors: Yang Yunlong , Wang Yanqin , Zhao Lei , Liu Ying , Ran Fen 
Published: January 2022

AbstractThe vanadium‐supramolecules and their derivatives are in high demand because of their huge potential applications in various fields, especially as electrodes for supercapacitors and batteries. However, the complex synthesis process is still a significant challenge. Furthermore, for these self‐assembly processes, the early reaction stages, intermediates, and details of reaction kinetics are still unknown. Here, an efficient approach of rapid cooling for large‐scale fabrication of melamine‐ammonium metavanadate (C3H6N6‐NH4VO3) supramolecular nanoribbons is reported, and the corresponding nucleation and growth process are visualized by using an in situ polarizing microscope. The thermally induced nucleation takes place within tens of seconds, and once the nucleus is formed, C3H6N6 and NH4VO3 begin to assemble into nanoribbons under thermal control and grow epitaxial around the already‐formed nuclei. The growth process is much slower than the nucleation, until all small molecules are consumed. Rapid heat induction (rapid cooling) and shear force induction (stirring) help to form a uniform and wider 2D sheet rather than fibers or ribbons. After pyrolysis, the vanadium‐supramolecules derived vanadium nitride (VN)/carbon nanoribbons present a mesoporous structure, which endows the VN/carbon with high capacitance of 266.3 F g−1 at 0.5 A g−1. In addition, the relationship between various structures and their properties is systematically investigated.
Electro‐Chemo‐Mechanical Modeling of Artificial Solid Electrolyte Interphase to Enable Uniform Electrodeposition of Lithium Metal Anodes
Authors: Liu Yangyang , Xu Xieyu , Kapitanova Olesya O. , Evdokimov Pavel V. , Song Zhongxiao , Matic Aleksandar , Xiong Shizhao 
Published: January 2022

AbstractNonuniform electrodeposition of lithium during charging processes is the key issue hindering development of rechargeable Li metal batteries. This deposition process is largely controlled by the solid electrolyte interphase (SEI) on the metal surface and the design of artificial SEIs is an essential pathway to regulate electrodeposition of Li. In this work, an electro‐chemo‐mechanical model is built and implemented in a phase‐field modelling to understand the correlation between the physical properties of artificial SEIs and deposition of Li. The results show that improving ionic conductivity of the SEI above a critical level can mitigate stress concentration and preferred deposition of Li. In addition, the mechanical strength of the SEI is found to also mitigate non‐uniform deposition and influence electrochemical kinetics, with a Young's modulus around 4.0 GPa being a threshold value for even deposition of Li. By comparison of the results to experimental results for artificial SEIs it is clear that the most important direction for future work is to improve the ionic conductivity without compromising mechanical strength. In addition, the findings and methodology presented here not only provide detailed guidelines for design of artificial SEI on Li‐metal anodes but also pave the way to explore strategies for regulating deposition of other metal anodes.
A numerical study of flow boiling in a microchannel using the local front reconstruction method
Authors: Rajkotwala Adnan H. , Boer Leander L , Peters E. A. J. F. (Frank) , van der Geld Cees W. M. , Kuerten J. G. M. (Hans) , Kuipers J. A. M. (Hans) , Baltussen Maike W. 
Published: January 2022

AbstractThe rapid advances in performance and miniaturization of electronic devices require a cooling technology that can remove the produced heat at a high rate with small temperature variations, as is obtained in flow boiling. To obtain insight in flow boiling, we performed numerical simulations in a 200 μm square microchannel using the local front reconstruction method. Besides validation with literature results, a parametric study shows an increasing heat removal rate and bubble growth rate with increasing wall temperature, liquid mass density, and liquid heat capacity and decreasing inlet velocity indicating the importance of phase change compared to convective transport. Finally, the heat transfer in the liquid film is studied using a Nusselt number defined with the film thickness, which is comparable to Nusselt number for falling films on hot surfaces. It is observed that convective effects are more pronounced at the bubble rear compared to the bubble front.
Respiratory health of American Indian and Alaska Native coal miners participating in the Coal Workers' Health Surveillance Program, 2014–2019
Authors: Hall Noemi B. , Nye Maya J. , Blackley David J. , Scott Laney A. , Mazurek Jacek M. , Halldin Cara N. 
Published: January 2022

AbstractBackgroundIn 2014, a federal rule reduced occupational exposure limits to coal mine dust and expanded medical surveillance eligibility beyond underground miners to surface and contract coal miners. This expansion may have provided an opportunity for more American Indian and Alaska Native (AI/AN) coal miners to participate in screening, since many surface coal mines are located near AI/AN communities and may employ AI/AN miners. Therefore we sought to better understand the respiratory health of AI/AN coal miners by characterizing prevalence of coal workers' pneumoconiosis (CWP), progressive massive fibrosis (PMF), and abnormal lung function in this population.MethodsDescriptive analysis of 1405 chest radiographs and 627 spirometry test results for AI/AN miners who participated in the Coal Workers' Health Surveillance Program (CWHSP) during 2014–2019 was conducted.ResultsMost AI/AN miners (0–25+ years of tenure) were western United States residents (82.3%) and active surface miners (76.9%) with no underground tenure. Among miners with at least 10 years of tenure, prevalence of CWP was 3.0%, and of PMF was 0.3%. Lung function abnormalities were seen in 9.0% with primarily restrictive patterns.ConclusionsThe prevalence of CWP, PMF, and lung function abnormality among active and former AI/AN coal miners was higher than seen in a larger CWHSP study of active western miners working primarily underground with 10+ years of tenure. Interventions that eliminate or control coal mine dust exposure, identify miners with CWP early, and limit respiratory disease progression and complications remain vital for eliminating the preventable adverse health effects of coal mining. Comprehensive demographic data on the coal mining workforce are needed to improve CWHSP participation assessment.
Threshold in Quantum Correlated Interference for a Particle Interacting with Two Scatterers
Authors: Kowalski F. V. 
Published: January 2022

AbstractCorrelated interference is calculated for a microscopic particle retro‐reflecting from two spatially separated scatterers that are free to move, all three of which are treated as quantum bodies: the positions of the particle traversing this 1D interferometer and those of the interferometer components are all uncertain. Interference in a measurement of only the particle is shown to disappear for microscopic yet appear for mesoscopic scatterers, contrary to that of a quantum‐classical transition. A measurement of this threshold can verify quantum correlations in many‐body systems by measuring only the retro‐reflected microscopic particle. The decoherence of a mesoscopic scatterer is determined by this threshold without it having to traverse slits or beamsplitters.
One‐Pot Precision Synthesis of AB, ABA and ABC Block Copolymers via Switchable Catalysis
Authors: Yang Zhenjie , Hu Chenyang , Cui Fengchao , Pang Xuan , Huang Yuezhou , Zhou Yanchuan , Chen Xuesi 
Published: January 2022

AbstractThe switchable catalysis using a commercial salenMn catalyst was firstly developed and applied in the one‐pot selective copolymerization from anhydrides, epoxides, CO2 and ϵ‐caprolactone (ϵ‐CL) mixtures for the precise synthesis of AB, ABA and novel ABC block copolymers. The observed unique double switch process comprising three different polymerization cycles was rationalized by theoretical calculations. Surprisingly, the first block turned out to be an efficient macromolecular initiator for the consecutive introduction of carbonate linkages into copolymers, albeit with dominant cyclization with the catalyst alone. Further, through the selective reaction on different epoxides, the switchable copolymerization of up to five monomers was achieved yielding well‐defined multi‐block copolymers with structural diversity and functionality.
Determination of the formulation and curing conditions of thermosetting epoxy resins for optimizing their properties and future use in gelcasting process
Authors: Oberlin Cyril , Patry Stéphane , Pochat‐Bohatier Céline , Bechelany Mirna , Habas Jean‐Pierre , Miele Philippe 
Published: January 2022

AbstractThis work investigates the suitability of epoxy resins for possible use in an industrial gelcasting process. Two different formulations are studied using complementary experimental techniques. Both reactive formulations are based on a difunctional epoxy prepolymer (aliphatic BDGE or aromatic RDGE) mixed with a polyamine hardener (TEPA). The combination of analytical chemistry (NMR and FTIR spectroscopy) and calorimetric measurements (DSC) are used to determine the optimal epoxy/amine ratio for each reactive formulation. The gelation and vitrification times are investigated by dynamic rheometry through kinetic analyses over a large range of fixed temperature. It is found that the RDGE‐TEPA mixture is more reactive than BDGE‐TEPA with shorter curing starting times. The thermomechanical analyses performed on both optimized formulations show that the RDGE‐TEPA material presents better performances after curing (Tg close to 80°C) than the BDGE‐TEPA system (Tg lower than ambient temperature). Then, the effects of the cooling cycle on the thermomechanical profile of each polymer are investigated. The RDGE‐TEPA formulation is found to be much more subject to the formation of internal stresses created during the cross‐linking and cooling step than the BDGE‐TEPA material. Considering all these criteria, the BDGE‐TEPA system is ultimately more suitable for the gelcasting process than RDGE‐TEPA.
Assessment of squalene variability and its enhancement in Amaranthus (Amaranthus caudatus L.) populations: With application to vaccine development
Authors: Verma Kuldip Chandra 
Published: January 2022

AbstractAmaranthus (Amaranthus caudatus L.) is the richest source of squalene among all plants. Squalene is used as a component of some adjuvants in vaccines for enhancement of the host immune response. Squalene content was estimated by high‐performance liquid chromatography and amino acids profiling was performed using an amino acid analyzer. Squalene content, up to 7.66%, was found in the raw seeds of amaranthus, which was further enhanced to 8.13% by popping. The results revealed that amaranthus populations have wide significant variations (p < 0.05) in 1000 seed weight (0.61–1.13 g), protein content (11.50–19.80%), total phenols (4.36–7.82 μg GAE/mg sample), total flavonoid (0.70–2.32 mg QE/g dw), and squalene (3.23–7.66% in raw seeds and 3.38–8.12% in popped seeds). Genotypic variability in amino acids composition, viz. lysine (4.96–5.90%), arginine (8.48–8.80%), leucine (5.20–6.70%), valine (3.60–4.60%), phenylalanine (5.30–8.00%), methionine (3.08–4.97%), tyrosine (5.92–7.96), threonine (3.20–4.32%), and glycine (6.60–8.20%), was also observed. Wide genetic variability in amaranthus grains may be used for improved varietal development breeding programs. It can be further concluded that an increase of squalene content in amaranthus grains by heat treatment could be helpful to fulfil the demands of cosmetic and pharmaceutical industries, especially with respect to vaccine production against virus‐generated pandemics.
A Janus Separator for Inhibiting Shuttle Effect and Lithium Dendrite in Lithium−Sulfur Batteries
Authors: Xiao Ru , Yang Shan , Yu Tong , Hu Tianzhao , Zhang Xiaoyin , Xu Ruogu , Wang Yaozu , Guo Xiaodong , Sun Zhenhua , Li Feng 
Published: January 2022

AbstractLithium−sulfur (Li−S) batteries are promising candidates for next‐generation energy storage systems. However, unsurpassed challenges including the shuttle effect and Li dendrite growth are still faced for marketization. Herein, La2Zr2O7‐x (OV‐LZO) nanotubes with surface oxygen vacancies were fabricated to serve as Janus separator coatings for Li−S batteries. The overlapping OV‐LZO nanotubes construct an efficient lithium polysulfides adsorption and catalysis network at the interface of the cathode/separator and a Li+ transport network by increasing the Li+ transfer number and boosting Li+ diffusion at the interface of the anode/separator to tackle the shuttle effect and lithium dendrite issues. The excellent thermal stability of OV‐LZO lowers the possibility of a short circuit. As a result, the elaborate Janus OV‐LZO coating enabled Li−S batteries with an areal capacity of 8.33 mAh cm−2 after 50 cycles at 0.2 C under conditions of high sulfur loading (9.1 mg cm−2), lean electrolyte (E/S of 4.5 mL g−1) and low N/P ratio of 2. Moreover, the gravimetric energy density of the battery was greatly increased compared to that of the commercial separator with little increase in the mass loading of separator. This strategy can be integrated with the optimization of other battery components to light the way for the construction of practical Li−S batteries.
Vorschlag für eine Änderung des Temperaturlastmodells für Beton‐ und Verbundbrücken in Österreich – Ergebnisse des Projekts MTE 2.0 „Modifiziertes Temperaturlastmodell für Eisenbahnbrücken“
Authors: Vill Markus , Vospernig Michael , Reiterer Michael , Eichinger‐Vill Eva M. , Kari Hannes 
Published: January 2022

AbstractIm Rahmen des durch die ÖBB‐Infrastruktur AG initiierten Forschungsprojekts MTE 2.0 wurden umfangreiche Untersuchungen zur tatsächlichen Temperaturbeanspruchung von Eisenbahnbrücken durchgeführt. Hierbei wurden Messungen an Brückentragwerken sowie Auswertungen von statistischen meteorologischen Klimadaten über einen Zeitraum von 50 Jahren, probabilistische Auswertungen und sowohl analytische als auch numerische Berechnungen durchgeführt. Auf Basis der Ergebnisse wurde das normative Bemessungsmodell für Temperatureinwirkungen gemäß Eurocode 1 an die Randbedingungen für Eisenbahnbrücken (Beton‐ und Verbundkonstruktionen) angepasst und ein Vorschlag für ein optimiertes Bemessungsmodell neu entwickelt, das im folgenden Beitrag vorgestellt wird. Vergleichsrechnungen an Eisenbahnbrücken haben gezeigt, dass die Längenänderungen von Massivbrücken im Grenzzustand der Tragfähigkeit gemäß dem optimierten Bemessungsmodell gegenüber den Ansätzen der ÖNORM EN 1991‐1‐5 bzw. der ÖNORM B 1991‐1‐5 um 25 % bis 45 % geringere Werte aufweisen können. Mithilfe dieses neu entwickelten Bemessungsmodells können somit die tatsächlich gemessenen Längenänderungen an bestehenden Brücken unter Berücksichtigung der Teilsicherheitsbeiwerte und der charakteristischen Eingangswerte wesentlich realistischer abgebildet werden. Der vorliegende Beitrag soll als Diskussionsgrundlage für die Arbeit in dem entsprechenden Normengremium verwendet werden.