bluuebunny/crossref_metadata_2025_split huggingface dataset:
Unraveling the Impact of Bromine Incorporation on the Hybrid Perovskite Film Phase Evolution Mechanism by In Situ Characterization
Authors: He Aoxi , Wang Yunfan , Tang Peng , Zhang Zhuoqiong , Zeng Zixin , Zhang Yuxuan , Hao Xia , Wu Lili , So Shu Kong , Tsang Sai‐Wing , Zhang Jingquan 
Published: September 2023

AbstractHybrid organic‐inorganic perovskite materials have substantially boosted solar cell efficiency, but such multiple components complicate the crystallization kinetics and phase evolution process. In particular, the mechanisms underlying the film formation where small halide Br− is involved in, from precursor to solid‐state thin films as well as the process‐structure relationship, still need to be determined. In this study, the role of Br− ion in altering the crystallization kinetics and phase‐transition mechanism, is recognized using in situ characterization and density functional analysis method based on first principles. High‐quality perovskite film can be fabricated based on these results through precise compositional engineering. These results provide basic insight into the crystallization of hybrid perovskite materials with direct implications for fabricating high‐quality perovskite film and high‐performance perovskite solar cells.
Revisiting source versus sink limitations of wheat yield during grain filling
Authors: Rosati Adolfo , Benincasa Paolo 
Published: September 2023

AbstractTo further increase wheat (Triticum spp.) yield, we need to understand whether it is source or sink limited. Earlier papers suggested that wheat yield is source limited in modern cultivars, including during the grain‐filling stage. Many recent papers support this interpretation, showing that yield is strongly related to environmental conditions that affect source capacity. In contrast to this, other authors working on source–sink manipulations have concluded that wheat yield is only or predominantly sink limited during grain filling. The objective of this forum paper was to examine this contrasting literature and revisit the assumptions and the interpretation of the results. We found that the arguments for a major sink limitation to wheat yield during grain filling arose from a common approach to quantitatively assess the degree of source–sink limitations, based on relativizing the change in grain weight (in response to source–sink manipulations) to the estimated change in source availability per grain. We show that the estimated changes in source availability with source manipulations are often overestimated in the literature, thus underestimating source limitations. Most importantly, we discuss why relativizing the change in grain weight to the estimated change in source availability biases the interpretation of source versus sink limitations. We conclude that wheat yield is mostly source limited during grain filling, and thus strongly dependent on environmental (including agronomic) conditions. A new model to interpret wheat yield limitations is proposed, describing yield as source limited during the whole crop cycle, including during grain filling.
Water‐Promoted Carbon‐Carbon Bond Cleavage Employing a Reusable Fe Single‐Atom Catalyst
Authors: Qi Haifeng , Mao Shuxin , Rabeah Jabor , Qu Ruiyang , Yang Na , Chen Zupeng , Bourriquen Florian , Yang Ji , Li Jianfeng , Junge Kathrin , Beller Matthias 
Published: September 2023

AbstractThe development of methods for selective cleavage reactions of thermodynamically stable C−C/C=C bonds in a green manner is a challenging research field which is largely unexplored. Herein, we present a heterogeneous Fe−N−C catalyst with highly dispersed iron centers that allows for the oxidative C−C/C=C bond cleavage of amines, secondary alcohols, ketones, and olefins in the presence of air (O2) and water (H2O). Mechanistic studies reveal the presence of water to be essential for the performance of the Fe−N−C system, boosting the product yield from <1 % to >90 %. Combined spectroscopic characterizations and control experiments suggest the singlet 1O2 and hydroxide species generated from O2 and H2O, respectively, take selectively part in the C−C bond cleavage. The broad applicability (>40 examples) even for complex drugs as well as high activity, selectivity, and durability under comparably mild conditions highlight this unique catalytic system.
Nickel‐asparagine complex fixed on a magnetic substrate as a precursor for preparing substituted acridines
Authors: Abbaszadehghan Maryam , Poursattar Marjani Ahmad , Bibak Sepideh , Sarreshtehdar Aslaheh Hamideh 
Published: September 2023

In this work, an efficient, novel, retrievable, and magnetic heterogeneous nanocatalyst, Fe3O4@CPTMS@Asp@Ni was successfully fabricated using Fe3O4 nanoparticles as the core that were coated with surfactant and 3‐chloropropyltrimethoxysilan and deposited asparagine and nickel metal that can be used in multicomponent reactions for the synthesis of acridines derivatives with high yield in short reaction times. The virtue of obtained nanocatalyst was identified using transmission electron microscopy, scanning electron microscopy, Fourier transform infrared spectroscopy, X‐ray diffraction analysis, energy dispersive X‐ray, Brunauer–Emmett–Teller, vibrating sample magnetometry, Raman, and thermogravimetric analysis. The X‐ray diffraction analysis studies demonstrate that the average crystallite sizes of the prepared nanocatalyst are estimated to be about 45.4 nm. Also, the vibrating sample magnetometry measurement shows saturation magnetization values (Ms) of 7 emu/g for Fe3O4@CPTMS@Asp@Ni nanocatalyst. Also, after the synthesis steps, the application of the prepared nanocatalyst in the preparation of acridine‐1,8(2H,5H)‐diones has been investigated. Then to evaluate and assess the efficiency of the nanocatalyst as mentioned above, and its effect on the synthesis of divergent acridines via a one‐pot, three‐component condensation reaction of cyclic 1,3‐dione, aryl glyoxal, with ammonium acetate in the water as green solvent was studied. Also, when investigating the reusability of this catalyst, it was observed that Fe3O4@CPTMS@Asp@Ni nanocatalyst could be reused at least five times without losing its efficiency. High efficiency, outstanding yields in quick intervals, easy separation using a magnetic field, and possessing reusability are significant benefits of the attained nanocatalyst.
Polyaniline/manganese nickel oxide/graphene composites as electrode materials for supercapacitors
Authors: Ma Yunhan , Fu Yue , Wei Na , Zhu Jingbo , Niu Haijun , Qin Chuanli , Jiang Xiankai 
Published: September 2023

AbstractThis study introduces a novel electrode material featuring a core‐shell intercalation structure. The material was synthesized using a simple and scalable method suitable for industrial replication. The outer layer of the electrode material comprises polyaniline, enveloping a nuclear structure composed of manganese dioxide and nickel oxide. This core‐shell configuration is then integrated into the lamellar structure of graphene oxide, resulting in the formation of PANI@(MnO2 + NiO)@GO composite. The combination of polyaniline, metal oxides, and graphene oxide demonstrates robust adsorption capacity, leading to the development of a three‐dimensional stable structure between the core and the shell. Additionally, graphene oxide contributes to the bilayer capacitance of the composites, resulting in simultaneous multiple synergistic effects and improved charge storage capacity. Electrochemical characterization reveals exceptional properties of this composite material, exhibiting a specific capacitance of 396 F g−1 at a current density of 0.5 A g−1 in a three‐electrode configuration. Furthermore, the material retains 82.6% of its capacitance after undergoing 3000 consecutive charge/discharge cycles. Calculations estimate the energy density and power density of this composite in a supercapacitor employing 1 M Na2SO4 electrolyte to be 43.2 W h kg−1 and 249.99 W kg−1, respectively.
Promoting data use through understanding user behaviors: A model for human open government data interaction
Authors: Xiao Fanghui , Chi Yu , He Daqing 
Published: September 2023

AbstractRecent dramatic increases in the ability to generate, collect, and use datasets have inspired numerous academic and policy discussions regarding the emerging field of human data interaction (HDI). Given the challenges in interacting with open government data (OGD) and the existing research gap in this field, our study intends to explore HDI in the OGD domain and investigate ways HDI can further contribute to OGD promotion. Building upon two existing behavioral models, we proposed an initial conceptual model for OGD interaction, then using this model, conducted two studies to empirically examine users' behaviors when interacting with OGD. Ultimately, we refined this model for OGD interaction and invited three experts to validate it to enhance its understandability, comprehensiveness, and reasonableness. This comprehensive model for human OGD interaction will contribute to the theoretical work of the HDI field as well as the practical design of OGD platforms and data literacy education.
Fully cooperative games with state and input constraints using reinforcement learning based on control barrier functions
Authors: Liu Shihan , Liu Lijun , Yu Zhen 
Published: September 2023

AbstractThis paper provides a novel safe reinforcement learning (RL) control algorithm to solve safe optimal problems for fully cooperative (FC) games of discrete‐time multiplayer nonlinear systems with state and input constraints. The FC game is a special case of nonzero‐sum (NZS) games, where all players cooperate to accomplish a common task. The algorithm is proposed based on the policy iteration (PI) framework utilizing only the measured data along the system trajectories in the environment. Different from most works about PI, an effective method of obtaining initial safe and stable control policies is given here. In addition, control barrier functions (CBFs) and an input constraint function are introduced to augment reward functions. And the monotonically nonincreasing property of the iterative value function in the PI algorithm maintains the safe set forward invariant. Then, the neural networks are employed to approximate the system dynamics, the iterative control policies, and the iterative value function, respectively. Furthermore, the proposed algorithm is supported by theoretical proofs that guarantee both safety and convergence. Finally, the effectiveness and safety of the algorithm are illustrated by the results of the simulation.
Modulating the RAGE‐Induced Inflammatory Response: Peptoids as RAGE Antagonists
Authors: Waugh Mihyun Lim , Wolf Lauren M. , Turner James P. , Phillips Lauren N. , Servoss Shannon L. , Moss Melissa A. 
Published: September 2023

AbstractWhile the primary pathology of Alzheimer's disease (AD) is defined by brain deposition of amyloid‐β (Aβ) plaques and tau neurofibrillary tangles, chronic inflammation has emerged as an important factor in AD etiology. Upregulated cell surface expression of the receptor for advanced glycation end‐products (RAGE), a key receptor of innate immune response, is reported in AD. In parallel, RAGE ligands, including Aβ aggregates, HMGB1, and S100B, are elevated in AD brain. Activation of RAGE by these ligands triggers release of inflammatory cytokines and upregulates cell surface RAGE. Despite such observation, there are currently no therapeutics that target RAGE for treatment of AD‐associated neuroinflammation. Peptoids, a novel class of potential AD therapeutics, display low toxicity, facile blood‐brain barrier permeability, and resistance to proteolytic degradation. In the current study, peptoids were designed to mimic Aβ, a ligand that binds the V‐domain of RAGE, and curtail RAGE inflammatory activation. We reveal the nanomolar binding capability of peptoids JPT1 and JPT1a to RAGE and demonstrate their ability to attenuate lipopolysaccharide‐induced pro‐inflammatory cytokine production as well as upregulation of RAGE cell surface expression. These results support RAGE antagonist peptoid‐based mimics as a prospective therapeutic strategy to counter neuroinflammation in AD and other neurodegenerative diseases.
Comparative evaluation of intracardiac, transesophageal, and transthoracic echocardiography in the assessment of patent foramen ovale: A retrospective single‐center study
Authors: Chaturvedi Abhishek , Moroni Francesco , Axline Michael , Tomdio Anna , Mojadidi Mohammad K. , Gertz Zachary 
Published: September 2023

AbstractIntroductionCertain patent foramen ovale (PFO) characteristics, such as a large right‐to‐left shunt (RLS) or atrial septal aneurysm, identify patients who may receive the highest clinical benefit from percutaneous PFO closure. This study aimed to compare intracardiac echocardiography (ICE) with standard echocardiographic imaging in the evaluation of high‐risk PFO characteristics and RLS severity in patients with PFO‐associated stroke.MethodsWe conducted a retrospective review of all patients aged ≥18 years who underwent percutaneous PFO closure for PFO‐associated stroke and received all three ultrasound‐based cardiac imaging modalities and had interpretable results (N = 51). We then compared RLS severity, high‐risk PFO characteristics, and the proportion of patients with a higher likelihood of PFO‐associated stroke by ICE versus transthoracic echocardiogram (TTE) and transesophageal echocardiogram (TEE).ResultsThe final cohort had a mean (±SE) age of 48.4 (±1.8) years and was predominantly female (58.8%). ICE was more likely to identify a large RLS versus TTE/TEE combined (66.7% vs. 45.1%; p = 0.03). The use of ICE resulted in significantly more patients being reclassified as having a higher likelihood of PFO‐associated stroke (TTE vs. TEE vs. ICE: 10.4% vs. 14.6% vs. 25%; p = 0.03). A high‐quality bubble study was found to be the single most important factor associated with identifying a larger RLS across all modalities (ρ [p]; TTE: 0.49 [<0.001], TEE: 0.60 [<0.001], ICE: 0.32 [0.02]). The presence of a hypermobile septum was associated with significantly greater RLS on ICE (ρ [p]: 0.3 [0.03]), especially with poor quality bubble studies (ρ [p]: 0.49 [0.02]).ConclusionIn this observational study of patients with PFO‐associated stroke, ICE detected a large RLS more frequently than TTE and TEE; and reclassified some patients as having a higher likelihood of PFO‐associated stroke.
Elusive long‐standing intraoral foreign body: A rare encounter
Authors: R Chandini , R Saranya , Balasubramaniam Murali , Rajkumar Ranjini , Dhungel Safal , Ghosh Snehashish 
Published: September 2023

Key Clinical MessageForeign body ingestion/aspiration can occur during orthodontic procedures that may be of minimal risk or lead to acute medical and life‐threatening emergencies. The present report describes a rare case of retained orthodontic wire fragment in the masticator space for nearly two decades identified as an incidental radiographic finding, highlighting the importance of optimum care in the dental clinic at all times be it surgical or nonsurgical intervention.
Synergistic Activation of Inert Iron Oxide Basal Planes through Heterostructure Formation and Doping for Efficient Hydrogen Evolution
Authors: Su Hong , Wang Shanshan , Liao Wanyi , Gan Rong , Ran Yiling , Zhao Qin , Fang Ling , Zhang Yan 
Published: September 2023

AbstractIron oxides have emerged as a very promising and cost‐effective alternative to precious metal catalysts for hydrogen production. However, the inert basal plane of iron oxides needs to be activated to enhance their catalytic efficiency. In this study, we employed heterostructure engineering and doped nickel to cooperatively activate the basal planes of iron oxide (Ni−Fe2O3/CeO2 HSs) to achieve high hydrogen evolution reaction (HER) activity. The Ni−Fe2O3/CeO2 HSs electrocatalyst demonstrates excellent basic HER activity and stability, such as an extremely low overpotential of 43 mV at 10 mA cm−2 current density and corresponding Tafel slope of 58.6 mV dec−1. The increase in electrocatalyst activity and acceleration of hydrogen precipitation kinetics arises from the dual modulation of Ni doping and heterostructure, which not only modulates the electrocatalyst‘s electronic structure, but also increases the number and exposure of active sites. Remarkably, the generation of heterogeneous structure makes the catalyst se. The Ni‐doped catalyst has not only increased HER activity but also low‐temperature resistance. These results suggest that the synergistic activation of inert iron oxide basal planes through heterostructure formation and doping is a feasible strategy. Furthermore, for efficient electrocatalytic water splitting, this technique can be extended to other non‐noble metal oxides.
Surface/Interface Engineering of Hierarchical MoO2/MoNi4@Ru/RuO2 Heterogeneous Nanosheet Arrays for Alkaline Water Electrolysis with Fast Kinetics
Authors: Zhang Qiong , Zhang Ruixue , Zhao Yingxiu , Sun Tiantian , Gao Jianyang , Xu Guang‐Rui , Wu Zexing , Yang Yu , Wang Lei 
Published: September 2023

Comprehensive SummaryRealizing the hydrogen economy by water electrolysis is an attractive approach for hydrogen production, while the efficient and stable bifunctional catalysts under high current densities are the bottleneck that limits the half‐cell reactions of water splitting. Here, we propose an approach of hydrothermal and thermal annealing methods for robust MoO2/MoNi4@Ru/RuO2 heterogeneous cuboid array electrocatalyst with multiplying surface‐active sites by depositing a monolayer amount of Ru. Benefiting from abundant MoO2/MoNi4@Ru/RuO2 heterointerfaces, MoO2/MoNi4@Ru/RuO2 heterogeneous cuboid array electrocatalysts effectively drive the alkaline water splitting with superior hydrogen evolution reaction (HER) and oxygen evolution reaction (OER) performances. The synthesized MoO2/MoNi4@Ru/RuO2 has high HER activity, which realizes the working overpotentials of 48 mV at 50 mA·cm–2, further achieving overpotentials of 230 mV for industry‐level 1000 mA·cm–2 in alkaline water electrolysis. Moreover, it also showed an enhanced OER activity than commercial RuO2 with a small overpotential of 280 mV at 200 mA·cm–2 in alkaline media. When building an electrolyzer with electrodes of (–)MoO2/MoNi4@Ru/RuO2IIMoO2/ MoNi4@Ru/RuO2 (+), a cell voltage of 1.63 V and 1.75 V is just required to support the current density of 200 mA·cm–2 and 500 mA·cm–2 in alkaline water electrolysis, much lower than that of the electrolyzer of (–)Pt/CIIRuO2(+). This work demonstrates that MoO2/MoNi4@Ru/RuO2 heterogeneous nanosheet arrays are promising candidates for industrial water electrolysis applications, providing a possibility for the exploration of water electrolysis with a large current density.
The Potential Game‐Changer: A Concept‐to‐Proof Study on D:A Heterojunction‐Free Organic Photovoltaics†
Authors: Zuo Lijian , Jo Sae Byeok , Shi Xueliang , Lin Francis , Jen Alex 
Published: September 2023

Comprehensive SummarySince 1986, the donor‐acceptor (D:A) heterojunction has been regarded a necessity for high‐efficiency organic photovoltaics (OPVs), due to its unique advantage in compensating the intrinsic limitations of organic semiconductors, such as high exciton binding energy and poor ambipolar charge mobility. While this adversely causes tremendous non‐radiative charge recombination and instability issues, which currently become the most critical limits for commercialization of OPVs. Here, we present a concept‐to‐proof study on the potential of D:A heterojunction free OPV by taking advantage of recent progress of non‐fullerene acceptors. First, we demonstrate that the “free carriers” can be spontaneously generated upon illumination in an NFA, i.e., the 6TIC‐4F single layer. Second, the 6TIC‐4F layer also exhibits good ambipolar charge transporting property. These exceptional characteristics distinguish it from the traditional organic semiconductors, and relieve it from the reliance of D:A heterojunction to independently work as active layer. As a result, the subsequent OPV by simply sandwiching the 6TIC‐4F layer between the cathode and anode yields a considerably high power conversion efficiency ~1%. Moreover, we find the D:A heterojunction free device exhibits two order of magnitude higher electroluminescence quantum efficiency and significantly reduced VOC loss by 0.16 eV compared to those of the D:A BHJ structure, validating its promise for higher efficiency in the future. Therefore, our work demonstrates the possibility of using D:A heterojunction‐free device structure for high performance, that can potentially become the next game changer of OPV.
Enhancing the Circularly Polarized Luminescence of Self‐assembled Cyanostilbenes through Extended π‐Conjugation
Authors: Lv Tongjin , Wu Song , Jin Yu , Ma Jianfei , Jiang Sixun , Xue Yuncong , Wang Feng 
Published: September 2023

Comprehensive SummaryChiral supramolecular assembly of π‐conjugated luminophores provides a promising avenue for enhancing circularly polarized luminescence. In this study, we shed light on the impact of π‐conjugation length on circularly polarized luminescent performance of the resulting supramolecular assemblies, by designing a tetra‐cyanostilbene monomeric compound alongside two dicyanostilbene control compounds. These cyanostilbene‐based compounds possess the ability to form chiral supramolecular polymers in toluene, driven by a synergistic combination of intermolecular hydrogen bonding and π–π stacking interactions. The extended π‐aromatic skeleton brings bathochromic‐shifted fluorescence and enhanced intermolecular stacking capability for the tetra‐cyanostilbene compound. Consequently, chiral supramolecular assemblies formed by the tetra‐cyanostilbene compound demonstrate a remarkable two‐fold increase in glum values relative to the assemblies formed by the dicyanostilbene compounds. Overall, this study provides valuable insights into the relationship between π‐conjugation length and the circularly polarized luminescent performance of π‐conjugated supramolecular assemblies.